data_1bha_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 1bha _Structure_validation_residue.Date_analyzed 2016-10-06 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 ' 8' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo . . . . . 0 N--CA 1.453 -0.873 0 N-CA-C 111.132 -0.372 . . . . 0.0 111.132 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -69.04 -38.01 78.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.57 1.169 . . . . 0.0 110.358 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . 0.557 ' CE2' ' CD1' ' A' ' 61' ' ' LEU . 69.0 t90 -69.04 -35.25 76.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.58 1.175 . . . . 0.0 108.026 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 8.2 mm -69.4 -36.87 73.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.579 1.174 . . . . 0.0 109.257 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 75.5 t-105 -68.25 -35.27 77.65 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.547 1.155 . . . . 0.0 107.99 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 1.555 ' CD2' ' CE1' ' A' ' 57' ' ' TYR . 1.3 tt -67.53 -47.19 70.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.269 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.98 -38.11 87.35 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 0.0 109.187 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.8 tt -65.59 -41.08 93.23 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.506 1.129 . . . . 0.0 109.345 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.51 -40.8 97.96 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.529 1.143 . . . . 0.0 111.008 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 32.2 m -67.95 -37.08 81.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 0.763 . . . . 0.0 110.42 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.17 -35.82 74.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.442 1.089 . . . . 0.0 109.349 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.5 tt -66.7 -46.43 75.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.616 1.197 . . . . 0.0 109.317 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.669 ' O ' ' CB ' ' A' ' 50' ' ' PRO . 62.8 mmm -64.81 -39.57 93.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 111.036 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -66.76 -38.98 93.49 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.437 1.086 . . . . 0.0 110.96 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 64.5 tp -66.16 -46.25 78.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 0.775 . . . . 0.0 109.307 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -62.4 -39.12 97.37 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.525 1.14 . . . . 0.0 110.981 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 1.087 ' CA ' ' CG ' ' A' ' 50' ' ' PRO . 87.3 m -67.93 -34.9 77.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.435 0.727 . . . . 0.0 110.359 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.5 tt -62.61 -49.51 74.93 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -62.59 -37.18 85.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.575 1.172 . . . . 0.0 110.987 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 1.145 ' CD2' ' O ' ' A' ' 47' ' ' THR . 85.7 t80 -65.34 -35.06 79.82 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.136 . . . . 0.0 111.015 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 25.7 mt -72.76 -40.18 66.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.38 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 28.7 t -64.56 -41.6 92.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 53.8 mttp -72.75 -30.57 64.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -66.71 -45.46 84.14 Favored Glycine 0 CA--C 1.528 0.902 0 O-C-N 124.427 1.08 . . . . 0.0 110.962 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 72.1 mtm . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.501 0.765 . . . . 0.0 111.001 -179.971 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 6.7 mm -64.47 -42.36 95.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.5 1.125 . . . . 0.0 109.245 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 1.057 ' C ' ' CZ ' ' A' ' 27' ' ' PHE . 64.0 m -60.81 -29.94 69.77 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.442 1.089 . . . . 0.0 110.447 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 1.145 ' O ' ' CD2' ' A' ' 27' ' ' PHE . 59.1 m -85.95 -21.8 27.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.474 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 6.5 mp -102.61 19.07 19.78 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.643 1.214 . . . . 0.0 109.207 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.56 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 1.0 OUTLIER -60.35 -49.18 91.63 Favored Pre-proline 0 C--N 1.324 -0.54 0 O-C-N 124.515 1.134 . . . . 0.0 109.259 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 1.087 ' CG ' ' CA ' ' A' ' 24' ' ' THR . 18.4 Cg_endo -74.94 -24.29 13.09 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.36 1.716 . . . . 0.0 111.007 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.811 ' N ' ' CG2' ' A' ' 24' ' ' THR . . . -69.78 -42.1 74.23 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.461 1.101 . . . . 0.0 109.299 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 46.4 mt -72.98 -39.31 57.73 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.442 0 O-C-N 124.389 1.056 . . . . 0.0 109.362 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.64 -40.66 92.79 Favored 'General case' 0 N--CA 1.45 -0.451 0 O-C-N 124.431 1.082 . . . . 0.0 109.334 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -67.8 -41.75 82.68 Favored 'General case' 0 N--CA 1.449 -0.516 0 O-C-N 124.64 1.212 . . . . 0.0 111.081 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 85.3 m -61.76 -39.8 92.9 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.452 1.095 . . . . 0.0 110.429 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 81.9 mtp -69.45 -39.19 77.93 Favored 'General case' 0 C--N 1.327 -0.378 0 O-C-N 124.547 1.155 . . . . 0.0 111.131 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 1.555 ' CE1' ' CD2' ' A' ' 13' ' ' LEU . 67.6 t80 -72.11 -28.33 63.21 Favored 'General case' 0 C--N 1.322 -0.602 0 O-C-N 124.541 1.15 . . . . 0.0 110.931 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 8.8 tp -78.15 -41.27 35.36 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.413 1.071 . . . . 0.0 109.373 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 92.9 p -60.72 -25.69 66.62 Favored 'General case' 0 N--CA 1.45 -0.468 0 O-C-N 124.396 1.06 . . . . 0.0 110.091 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.948 ' CE ' ' CD1' ' A' ' 13' ' ' LEU . 54.4 ttp -92.8 -43.74 8.86 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.56 1.162 . . . . 0.0 111.106 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.557 ' CD1' ' CE2' ' A' ' 10' ' ' TRP . 30.4 tp -58.29 -60.26 4.04 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.478 1.111 . . . . 0.0 109.47 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 10.3 mp -70.5 -34.1 71.97 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 73.78 43.66 34.42 Favored Glycine 0 CA--C 1.533 1.163 0 O-C-N 124.488 1.118 . . . . 0.0 110.94 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 6.1 p90 -109.49 -17.5 13.74 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.699 0.882 . . . . 0.0 110.867 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -127.12 5.11 7.32 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.524 1.14 . . . . 0.0 110.993 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.539 0.787 . . . . 0.0 109.382 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo . . . . . 0 N--CA 1.453 -0.886 0 N-CA-C 111.063 -0.399 . . . . 0.0 111.063 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.91 -37.03 81.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.399 1.062 . . . . 0.0 110.331 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . 0.609 ' CD1' ' CD1' ' A' ' 61' ' ' LEU . 86.7 t90 -72.9 -32.87 65.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.616 1.198 . . . . 0.0 108.026 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 8.3 mm -70.58 -37.14 68.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.575 1.172 . . . . 0.0 109.365 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 53.9 t90 -70.2 -37.54 75.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.597 1.186 . . . . 0.0 108.067 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.974 ' CD2' ' CA ' ' A' ' 61' ' ' LEU . 10.4 tp -66.28 -43.82 85.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.088 . . . . 0.0 109.329 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.489 ' O ' ' CE2' ' A' ' 57' ' ' TYR . . . -63.87 -40.08 95.7 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.573 1.17 . . . . 0.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 59.8 tp -64.31 -40.23 95.52 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.606 1.191 . . . . 0.0 109.309 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.76 -42.8 96.96 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.53 1.144 . . . . 0.0 111.008 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.917 ' O ' ' CD1' ' A' ' 54' ' ' PHE . 37.1 m -66.61 -36.04 81.64 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.464 0.743 . . . . 0.0 110.421 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.06 -37.77 75.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.337 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.3 tt -65.57 -45.76 82.06 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.536 1.148 . . . . 0.0 109.322 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 1.506 ' CE ' ' CB ' ' A' ' 53' ' ' ALA . 79.3 mtp -64.31 -41.51 96.81 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 110.938 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.547 ' CA ' ' CD1' ' A' ' 54' ' ' PHE . . . -64.32 -39.91 97.4 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.441 1.088 . . . . 0.0 111.007 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 61.5 tp -67.66 -39.34 84.56 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.532 0.784 . . . . 0.0 109.371 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.84 -42.69 98.37 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.494 1.121 . . . . 0.0 110.983 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 1.221 ' OG1' ' CB ' ' A' ' 50' ' ' PRO . 43.7 m -67.66 -40.3 84.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 0.784 . . . . 0.0 110.45 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.7 tt -62.64 -45.5 92.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.363 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -63.88 -37.54 87.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 110.966 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 1.008 ' CD2' ' CG2' ' A' ' 47' ' ' THR . 88.6 t80 -66.51 -33.88 76.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.542 1.151 . . . . 0.0 111.053 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.774 ' CD2' ' CG2' ' A' ' 47' ' ' THR . 22.7 mt -74.65 -41.94 59.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.313 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 17.3 t -61.84 -45.04 99.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.113 . . . . 0.0 109.314 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.8 mmmm -71.94 -33.46 68.24 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.445 1.091 . . . . 0.0 109.337 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.37 -45.29 96.44 Favored Glycine 0 CA--C 1.532 1.146 0 O-C-N 124.42 1.075 . . . . 0.0 110.916 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 70.6 mtm . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.553 0.796 . . . . 0.0 111.024 -179.965 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.4 mp -63.76 -38.33 82.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 O-C-N 124.51 1.131 . . . . 0.0 109.266 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 37.8 m -69.58 -19.79 63.66 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.453 1.096 . . . . 0.0 110.556 179.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 1.008 ' CG2' ' CD2' ' A' ' 27' ' ' PHE . 96.0 m -93.74 -16.98 23.66 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.529 1.143 . . . . 0.0 110.432 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -101.46 -6.44 23.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.579 1.175 . . . . 0.0 109.348 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.541 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 0.9 OUTLIER -63.95 -49.87 72.72 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.428 1.08 . . . . 0.0 109.371 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 1.221 ' CB ' ' OG1' ' A' ' 24' ' ' THR . 18.3 Cg_endo -74.98 -22.14 15.16 Favored 'Trans proline' 0 C--N 1.361 1.224 0 O-C-N 124.577 1.83 . . . . 0.0 110.953 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.454 ' N ' ' CG2' ' A' ' 24' ' ' THR . . . -71.18 -44.3 65.74 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.684 1.24 . . . . 0.0 109.266 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 6.1 mm -70.51 -37.9 71.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 109.345 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 1.506 ' CB ' ' CE ' ' A' ' 20' ' ' MET . . . -62.1 -41.09 97.87 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.242 0.964 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.917 ' CD1' ' O ' ' A' ' 17' ' ' THR . 48.2 t80 -66.31 -41.36 89.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.329 1.018 . . . . 0.0 110.943 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 57.3 m -65.26 -39.6 92.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.342 1.026 . . . . 0.0 110.234 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 76.1 mtp -69.6 -37.17 76.8 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.466 1.103 . . . . 0.0 110.951 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.873 ' CZ ' ' N ' ' A' ' 17' ' ' THR . 40.0 t80 -62.79 -33.9 76.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.432 1.083 . . . . 0.0 111.154 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.484 ' CG ' ' CG2' ' A' ' 17' ' ' THR . 18.3 mt -83.07 -30.64 27.84 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.444 1.09 . . . . 0.0 109.286 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 42.7 t -72.48 -10.81 60.25 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.568 1.167 . . . . 0.0 110.008 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 23.7 ttt -110.99 -50.15 2.97 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 0.0 110.996 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.974 ' CA ' ' CD2' ' A' ' 13' ' ' LEU . 44.5 tp -54.22 -62.92 1.34 Allowed 'General case' 0 C--N 1.327 -0.399 0 O-C-N 124.464 1.102 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 9.0 mt -75.85 -31.66 59.42 Favored 'General case' 0 C--N 1.322 -0.61 0 O-C-N 124.679 1.237 . . . . 0.0 109.441 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 79.75 91.95 0.41 Allowed Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.546 1.154 . . . . 0.0 110.932 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -146.16 22.81 1.36 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.422 0.719 . . . . 0.0 110.984 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -176.0 -53.95 0.06 OUTLIER Glycine 0 CA--C 1.532 1.105 0 O-C-N 124.449 1.093 . . . . 0.0 111.101 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 10.2 mt . . . . . 0 C--N 1.323 -0.552 0 O-C-N 124.761 0.918 . . . . 0.0 109.217 -179.951 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo . . . . . 0 N--CA 1.453 -0.856 0 N-CA-C 110.985 -0.429 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -71.59 -37.4 71.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.282 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . 0.412 ' NE1' ' O ' ' A' ' 61' ' ' LEU . 85.3 t90 -69.21 -34.92 75.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 107.992 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 7.7 mm -70.52 -38.6 74.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.088 . . . . 0.0 109.299 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 73.9 t-105 -68.2 -34.78 76.9 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 1.363 ' CD1' ' CE ' ' A' ' 60' ' ' MET . 12.1 tp -67.31 -45.87 75.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.27 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.451 ' CB ' ' CD2' ' A' ' 61' ' ' LEU . . . -63.51 -37.53 87.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.263 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.6 tt -65.89 -40.94 92.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.413 1.071 . . . . 0.0 109.374 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.17 -40.22 96.67 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.459 1.1 . . . . 0.0 110.94 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 1.045 ' N ' ' CZ ' ' A' ' 57' ' ' TYR . 41.3 m -68.02 -35.18 77.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 0.796 . . . . 0.0 110.399 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.27 -34.46 65.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.427 1.079 . . . . 0.0 109.341 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 11.9 tp -66.58 -53.12 37.97 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.453 1.095 . . . . 0.0 109.326 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.484 ' SD ' ' CB ' ' A' ' 53' ' ' ALA . 69.3 mtm -64.4 -36.99 85.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 111.003 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -64.41 -41.97 97.83 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.485 1.116 . . . . 0.0 111.047 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 63.2 tp -67.85 -38.99 83.84 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.47 0.747 . . . . 0.0 109.335 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -62.85 -44.53 97.31 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.485 1.116 . . . . 0.0 111.002 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 1.442 ' OG1' ' CB ' ' A' ' 50' ' ' PRO . 52.8 m -66.81 -39.33 87.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.4 0.706 . . . . 0.0 110.427 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.4 tt -62.24 -46.84 87.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.575 1.172 . . . . 0.0 109.32 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 69.2 t80 -64.0 -35.98 82.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.102 . . . . 0.0 110.95 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 1.195 ' CD2' ' CG2' ' A' ' 47' ' ' THR . 76.8 t80 -66.72 -32.0 73.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 110.971 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.76 ' CD2' ' CG2' ' A' ' 47' ' ' THR . 21.9 mt -79.13 -37.26 39.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 9.5 t -60.74 -49.14 85.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 109.255 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.8 pttp -78.64 -24.92 44.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.4 -42.0 95.5 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.538 1.149 . . . . 0.0 110.981 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 63.7 mtm . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.563 0.802 . . . . 0.0 111.042 179.99 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.226 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 6.0 mm -62.84 -38.45 81.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.424 ' C ' ' CZ ' ' A' ' 27' ' ' PHE . 98.8 m -68.99 -26.11 64.86 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.388 1.055 . . . . 0.0 110.329 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 1.195 ' CG2' ' CD2' ' A' ' 27' ' ' PHE . 55.8 m -92.24 -7.92 46.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.142 . . . . 0.0 110.476 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.1 tp -102.59 -7.3 21.93 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.491 1.119 . . . . 0.0 109.253 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.551 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 1.3 t -64.89 -49.45 68.43 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.335 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 1.442 ' CB ' ' OG1' ' A' ' 24' ' ' THR . 18.3 Cg_endo -75.11 -17.81 19.01 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.44 1.758 . . . . 0.0 111.004 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.63 -43.48 69.14 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.642 1.214 . . . . 0.0 109.336 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.4 mp -74.4 -37.82 45.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 109.28 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.484 ' CB ' ' SD ' ' A' ' 20' ' ' MET . . . -61.31 -42.62 98.97 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.446 1.091 . . . . 0.0 109.284 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 83.5 t80 -68.22 -41.44 81.29 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.517 1.136 . . . . 0.0 111.029 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 59.3 m -59.78 -41.81 91.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 110.397 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 83.6 mtp -69.4 -41.31 76.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.564 1.165 . . . . 0.0 111.059 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 1.045 ' CZ ' ' N ' ' A' ' 17' ' ' THR . 76.3 t80 -63.65 -31.76 73.03 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.633 1.208 . . . . 0.0 111.122 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -81.65 -33.75 31.19 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.609 1.193 . . . . 0.0 109.211 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 39.0 t -73.54 -8.26 55.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.346 1.029 . . . . 0.0 109.97 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 1.363 ' CE ' ' CD1' ' A' ' 13' ' ' LEU . 50.5 ttp -110.46 -43.72 3.83 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.532 1.145 . . . . 0.0 111.039 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.736 ' CA ' ' CD2' ' A' ' 13' ' ' LEU . 55.9 tp -56.99 -65.68 0.58 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.566 1.166 . . . . 0.0 109.422 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.8 tp -74.61 -39.09 62.38 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.385 1.053 . . . . 0.0 109.19 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 89.98 86.89 1.32 Allowed Glycine 0 CA--C 1.532 1.096 0 O-C-N 124.423 1.077 . . . . 0.0 111.022 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -113.17 -9.75 13.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.609 0.829 . . . . 0.0 110.984 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -177.8 -43.49 0.07 OUTLIER Glycine 0 CA--C 1.528 0.9 0 O-C-N 124.504 1.127 . . . . 0.0 111.088 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.423 0 O-C-N 124.461 0.742 . . . . 0.0 109.343 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo . . . . . 0 N--CA 1.454 -0.808 0 N-CA-C 110.963 -0.437 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -70.1 -38.65 75.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 110.303 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . 0.541 ' O ' ' CD1' ' A' ' 61' ' ' LEU . 58.5 t90 -69.11 -35.75 76.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 107.984 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 6.4 mm -68.74 -38.67 79.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.582 1.177 . . . . 0.0 109.318 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 75.6 t-105 -68.15 -36.24 79.36 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.494 1.121 . . . . 0.0 107.99 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 1.049 ' CD2' ' CA ' ' A' ' 61' ' ' LEU . 10.1 tp -66.18 -44.39 84.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.264 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 1.195 ' C ' ' OH ' ' A' ' 57' ' ' TYR . . . -64.36 -37.4 87.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.752 ' N ' ' OH ' ' A' ' 57' ' ' TYR . 9.9 tp -65.08 -41.55 94.95 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.462 1.101 . . . . 0.0 109.328 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.56 -40.48 96.09 Favored Glycine 0 CA--C 1.528 0.905 0 O-C-N 124.604 1.19 . . . . 0.0 111.013 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.964 ' N ' ' CZ ' ' A' ' 57' ' ' TYR . 43.4 m -67.77 -34.99 77.89 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.363 0.684 . . . . 0.0 110.441 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.07 -35.46 66.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 109.226 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 58.5 tp -66.0 -53.11 42.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 109.388 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.419 ' SD ' ' CB ' ' A' ' 53' ' ' ALA . 66.9 mtm -63.87 -37.9 89.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 111.005 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -64.12 -40.71 98.34 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.519 1.137 . . . . 0.0 110.992 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 61.6 tp -68.28 -39.66 82.06 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 0.761 . . . . 0.0 109.179 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.06 -43.01 99.44 Favored Glycine 0 CA--C 1.528 0.879 0 O-C-N 124.542 1.151 . . . . 0.0 110.993 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.4 ' CG2' ' N ' ' A' ' 51' ' ' ALA . 55.9 m -67.66 -39.8 84.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.4 0.706 . . . . 0.0 110.408 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 61.4 tp -62.66 -46.21 89.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 109.312 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 91.4 t80 -63.02 -38.04 89.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 110.989 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.846 ' CD2' ' CG2' ' A' ' 47' ' ' THR . 88.7 t80 -66.04 -35.17 79.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.118 . . . . 0.0 110.977 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.847 ' CD2' ' CG2' ' A' ' 47' ' ' THR . 22.4 mt -72.35 -40.94 66.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 109.333 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 20.4 t -61.52 -46.41 96.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.449 1.093 . . . . 0.0 109.276 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.3 mmpp? -69.28 -33.33 73.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.341 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -61.02 -43.95 98.81 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.612 1.195 . . . . 0.0 110.986 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 73.8 mtm . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.51 0.77 . . . . 0.0 110.916 -179.909 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.4 mp -62.97 -38.63 82.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 O-C-N 124.558 1.161 . . . . 0.0 109.288 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 42.9 m -70.08 -19.39 63.27 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.417 1.073 . . . . 0.0 110.439 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.847 ' CG2' ' CD2' ' A' ' 28' ' ' LEU . 97.2 m -93.37 -17.06 23.97 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.57 1.169 . . . . 0.0 110.254 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -101.6 -5.86 24.55 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.536 1.148 . . . . 0.0 109.426 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.547 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 0.9 OUTLIER -64.4 -49.54 71.33 Favored Pre-proline 0 C--N 1.327 -0.41 0 O-C-N 124.469 1.106 . . . . 0.0 109.197 -179.814 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.547 ' CD ' ' N ' ' A' ' 49' ' ' VAL . 18.4 Cg_endo -75.06 -20.19 16.98 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.487 1.783 . . . . 0.0 111.016 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.4 ' N ' ' CG2' ' A' ' 24' ' ' THR . . . -73.38 -42.68 61.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.668 1.23 . . . . 0.0 109.26 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 52.5 mt -73.13 -37.97 53.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.333 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.419 ' CB ' ' SD ' ' A' ' 20' ' ' MET . . . -62.05 -43.57 98.55 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.496 1.122 . . . . 0.0 109.248 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.573 ' CD1' ' O ' ' A' ' 17' ' ' THR . 83.3 t80 -67.31 -41.24 85.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 111.028 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 52.8 m -60.08 -43.24 95.64 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.439 1.087 . . . . 0.0 110.378 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 83.6 mtp -68.64 -40.96 80.04 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.561 1.163 . . . . 0.0 111.087 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 1.195 ' OH ' ' C ' ' A' ' 14' ' ' ALA . 79.5 t80 -63.07 -31.38 72.5 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.571 1.169 . . . . 0.0 111.119 179.813 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.406 ' CD2' ' CG2' ' A' ' 17' ' ' THR . 0.1 OUTLIER -81.46 -36.04 29.83 Favored 'General case' 0 C--N 1.327 -0.394 0 O-C-N 124.444 1.09 . . . . 0.0 109.334 179.882 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 11.2 t -71.05 -10.12 59.22 Favored 'General case' 0 C--N 1.327 -0.39 0 O-C-N 124.518 1.136 . . . . 0.0 110.127 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.958 ' CE ' ' CD1' ' A' ' 13' ' ' LEU . 56.3 ttp -107.76 -44.72 4.17 Favored 'General case' 0 N--CA 1.453 -0.31 0 O-C-N 124.551 1.157 . . . . 0.0 110.85 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 1.049 ' CA ' ' CD2' ' A' ' 13' ' ' LEU . 56.1 tp -57.68 -60.0 4.34 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.494 1.121 . . . . 0.0 109.244 -179.809 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -74.46 -38.19 63.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 89.21 88.81 1.22 Allowed Glycine 0 CA--C 1.531 1.082 0 O-C-N 124.591 1.182 . . . . 0.0 110.872 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -121.26 0.11 10.01 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.618 0.834 . . . . 0.0 111.099 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 177.2 -43.74 0.1 OUTLIER Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.467 1.105 . . . . 0.0 111.126 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 8.9 mp . . . . . 0 N--CA 1.449 -0.49 0 O-C-N 124.453 0.737 . . . . 0.0 109.355 179.972 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_endo . . . . . 0 N--CA 1.452 -0.93 0 N-CA-C 111.041 -0.407 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 51.3 mp0 -67.82 -35.34 78.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.24 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . 0.626 ' NE1' ' O ' ' A' ' 61' ' ' LEU . 48.6 t90 -67.92 -38.9 83.46 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.467 1.104 . . . . 0.0 108.06 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 6.3 mm -67.46 -36.81 77.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 0.0 109.284 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 76.6 t-105 -67.44 -35.09 78.55 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.627 1.205 . . . . 0.0 107.977 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.724 ' CD2' ' CD1' ' A' ' 57' ' ' TYR . 1.3 tt -67.11 -47.7 70.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.339 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 1.286 ' C ' ' OH ' ' A' ' 57' ' ' TYR . . . -61.49 -38.18 86.36 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.359 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.866 ' N ' ' OH ' ' A' ' 57' ' ' TYR . 3.9 tt -65.0 -41.32 95.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.434 ' N ' ' OH ' ' A' ' 57' ' ' TYR . . . -64.17 -42.67 97.89 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.513 1.133 . . . . 0.0 110.995 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 1.126 ' N ' ' CZ ' ' A' ' 57' ' ' TYR . 30.2 m -66.01 -36.95 84.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 0.75 . . . . 0.0 110.457 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.65 -38.09 77.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.446 1.091 . . . . 0.0 109.338 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.5 tt -65.23 -43.88 90.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.345 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 1.397 ' CE ' ' CB ' ' A' ' 53' ' ' ALA . 77.9 mtp -64.14 -45.66 87.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.996 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -63.4 -35.75 92.47 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.532 1.145 . . . . 0.0 111.057 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.5 tt -65.09 -49.3 70.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.568 0.804 . . . . 0.0 109.286 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -61.47 -39.72 97.69 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.464 1.103 . . . . 0.0 110.99 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 1.347 ' OG1' ' CB ' ' A' ' 50' ' ' PRO . 88.9 m -66.66 -34.52 78.05 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.536 0.786 . . . . 0.0 110.469 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.1 tp -62.38 -53.79 49.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -61.45 -36.25 79.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 111.08 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.95 ' CZ ' ' C ' ' A' ' 46' ' ' THR . 90.6 t80 -63.84 -36.87 85.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 110.968 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.457 ' CD2' ' CG2' ' A' ' 47' ' ' THR . 23.0 mt -71.54 -40.33 70.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.598 1.186 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 39.3 t -64.32 -38.94 83.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.105 . . . . 0.0 109.375 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 55.7 mttm -73.66 -32.29 63.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.567 1.167 . . . . 0.0 109.335 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -65.26 -45.01 92.81 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.558 1.161 . . . . 0.0 111.023 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 72.7 mtm . . . . . 0 C--N 1.326 -0.421 0 O-C-N 124.395 0.703 . . . . 0.0 111.073 179.953 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.35 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.4 mp -62.99 -39.52 85.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.6 1.188 . . . . 0.0 109.332 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.95 ' C ' ' CZ ' ' A' ' 27' ' ' PHE . 51.2 m -68.06 -25.56 65.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 110.372 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.457 ' CG2' ' CD2' ' A' ' 28' ' ' LEU . 55.3 m -92.94 -8.84 42.04 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 124.441 1.088 . . . . 0.0 110.508 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.9 tp -102.22 -7.16 22.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.409 1.068 . . . . 0.0 109.412 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.544 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 1.3 t -65.06 -50.18 63.03 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 109.184 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 1.347 ' CB ' ' OG1' ' A' ' 24' ' ' THR . 18.2 Cg_endo -74.97 -14.6 21.16 Favored 'Trans proline' 0 C--N 1.361 1.235 0 O-C-N 124.525 1.803 . . . . 0.0 110.957 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -73.5 -50.96 18.8 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.605 1.19 . . . . 0.0 109.247 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 37.6 pt -71.53 -30.72 40.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 1.397 ' CB ' ' CE ' ' A' ' 20' ' ' MET . . . -65.57 -45.72 82.23 Favored 'General case' 0 C--N 1.323 -0.577 0 O-C-N 124.619 1.199 . . . . 0.0 109.317 179.82 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.443 ' CD1' ' O ' ' A' ' 17' ' ' THR . 82.2 t80 -67.96 -37.58 81.73 Favored 'General case' 0 C--N 1.322 -0.611 0 O-C-N 124.55 1.156 . . . . 0.0 110.935 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 83.3 m -62.6 -43.68 98.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.402 1.064 . . . . 0.0 110.302 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 80.7 mtp -69.14 -41.23 77.58 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.449 1.093 . . . . 0.0 111.038 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 1.286 ' OH ' ' C ' ' A' ' 14' ' ' ALA . 81.1 t80 -64.99 -32.57 74.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.432 1.083 . . . . 0.0 110.961 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.6 tp -79.48 -35.3 40.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.429 1.081 . . . . 0.0 109.438 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 47.1 t -73.27 -9.17 58.42 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.65 1.219 . . . . 0.0 110.002 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.682 ' CE ' ' CD1' ' A' ' 13' ' ' LEU . 55.6 ttp -108.21 -41.21 4.96 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.517 1.135 . . . . 0.0 110.918 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.626 ' O ' ' NE1' ' A' ' 10' ' ' TRP . 14.2 tp -59.24 -65.37 0.68 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.0 mt -74.39 -33.95 63.17 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 124.348 1.03 . . . . 0.0 109.286 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 88.13 92.46 1.04 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.577 1.173 . . . . 0.0 111.043 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -142.67 19.38 2.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 0.779 . . . . 0.0 110.909 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 175.07 -52.63 0.13 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.435 1.084 . . . . 0.0 111.119 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.7 mm? . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.645 0.85 . . . . 0.0 109.282 179.984 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo . . . . . 0 N--CA 1.454 -0.85 0 N-CA-C 110.962 -0.438 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -68.98 -40.61 78.71 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.564 1.165 . . . . 0.0 110.362 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . 0.525 ' CE2' ' CD1' ' A' ' 61' ' ' LEU . 85.9 t90 -71.67 -32.74 68.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 107.992 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 8.5 mm -69.09 -36.78 75.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.566 1.166 . . . . 0.0 109.333 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 75.3 t-105 -69.64 -35.35 75.13 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.866 ' CD2' ' CD1' ' A' ' 57' ' ' TYR . 1.3 tt -66.49 -47.26 73.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.554 1.159 . . . . 0.0 109.29 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.523 ' O ' ' CE2' ' A' ' 57' ' ' TYR . . . -61.82 -39.0 90.23 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.405 1.066 . . . . 0.0 109.325 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.9 tt -64.55 -40.96 96.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.242 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.19 -42.18 98.05 Favored Glycine 0 CA--C 1.532 1.097 0 O-C-N 124.524 1.14 . . . . 0.0 110.951 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.952 ' O ' ' CD1' ' A' ' 54' ' ' PHE . 33.4 m -66.95 -36.87 83.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.58 0.812 . . . . 0.0 110.392 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.28 -37.64 77.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 11.8 tp -65.47 -46.0 81.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 1.463 ' CE ' ' CB ' ' A' ' 53' ' ' ALA . 78.7 mtp -63.47 -42.2 98.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.401 1.063 . . . . 0.0 110.939 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.478 ' CA ' ' CD1' ' A' ' 54' ' ' PHE . . . -63.95 -39.68 97.54 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.477 1.111 . . . . 0.0 111.037 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.7 tt -67.75 -39.32 84.19 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.457 0.739 . . . . 0.0 109.346 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.4 -42.54 97.6 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.397 1.061 . . . . 0.0 110.965 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 1.098 ' OG1' ' CB ' ' A' ' 50' ' ' PRO . 43.5 m -66.55 -39.99 88.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 0.771 . . . . 0.0 110.37 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 56.5 tp -63.63 -46.26 86.5 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 72.9 t80 -63.02 -37.01 85.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 111.028 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.94 ' CD2' ' CG2' ' A' ' 47' ' ' THR . 86.0 t80 -66.45 -36.61 83.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 111.067 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.688 ' CD2' ' CG2' ' A' ' 47' ' ' THR . 20.6 mt -70.41 -42.68 71.32 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.564 1.165 . . . . 0.0 109.347 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 39.1 t -66.55 -34.7 71.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 0.0 109.327 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 27.3 ttpp -71.35 -37.22 71.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -64.9 -49.67 61.94 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.478 1.111 . . . . 0.0 110.985 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 67.0 mtm . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.478 0.752 . . . . 0.0 110.97 -179.984 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.232 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 45.4 mt -63.48 -39.25 84.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.403 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.438 ' C ' ' CZ ' ' A' ' 27' ' ' PHE . 45.5 m -70.47 -18.55 62.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.411 1.069 . . . . 0.0 110.414 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.94 ' CG2' ' CD2' ' A' ' 27' ' ' PHE . 97.4 m -93.96 -17.31 23.08 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.563 1.164 . . . . 0.0 110.48 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -101.73 -7.03 22.96 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.517 1.136 . . . . 0.0 109.29 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.545 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 0.9 OUTLIER -63.58 -49.93 75.05 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.588 1.18 . . . . 0.0 109.35 179.931 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 1.098 ' CB ' ' OG1' ' A' ' 24' ' ' THR . 18.4 Cg_endo -74.92 -22.59 14.83 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.523 1.802 . . . . 0.0 111.109 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.411 ' N ' ' CG2' ' A' ' 24' ' ' THR . . . -70.37 -45.22 66.48 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.553 1.158 . . . . 0.0 109.274 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 6.5 mm -69.74 -38.91 77.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.69 1.244 . . . . 0.0 109.326 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 1.463 ' CB ' ' CE ' ' A' ' 20' ' ' MET . . . -60.15 -41.09 92.02 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.491 1.119 . . . . 0.0 109.207 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.952 ' CD1' ' O ' ' A' ' 17' ' ' THR . 38.2 t80 -66.84 -38.29 86.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.355 1.034 . . . . 0.0 110.946 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 47.2 m -65.25 -41.14 94.62 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.372 1.045 . . . . 0.0 110.305 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 53.2 mtm -69.26 -37.32 77.87 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.515 1.134 . . . . 0.0 110.996 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.882 ' CZ ' ' N ' ' A' ' 17' ' ' THR . 38.0 t80 -62.21 -35.17 78.06 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.467 1.104 . . . . 0.0 110.902 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.428 ' CG ' ' CG2' ' A' ' 17' ' ' THR . 43.5 mt -80.81 -34.73 33.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.558 1.161 . . . . 0.0 109.251 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 44.3 t -65.56 -17.02 64.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 0.0 109.895 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 20.1 ttm -104.9 -46.75 4.21 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 124.552 1.158 . . . . 0.0 111.003 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.525 ' CD1' ' CE2' ' A' ' 10' ' ' TRP . 46.7 tp -55.32 -62.51 1.63 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.645 1.215 . . . . 0.0 109.424 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 10.8 mt -71.77 -34.14 69.19 Favored 'General case' 0 C--N 1.328 -0.356 0 O-C-N 124.451 1.094 . . . . 0.0 109.319 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 75.75 78.57 0.66 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.565 1.165 . . . . 0.0 111.008 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -142.89 22.36 1.94 Allowed 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.552 0.795 . . . . 0.0 110.962 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -172.47 -53.99 0.04 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.672 1.233 . . . . 0.0 111.021 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.52 0 O-C-N 124.466 0.745 . . . . 0.0 109.338 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo . . . . . 0 N--CA 1.453 -0.857 0 N-CA-C 110.995 -0.425 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -66.24 -36.64 83.53 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.464 1.102 . . . . 0.0 110.27 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . 0.512 ' CD1' ' CD1' ' A' ' 61' ' ' LEU . 75.0 t90 -69.32 -36.47 77.0 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.072 -1.084 . . . . 0.0 108.072 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 7.4 mm -69.0 -35.51 69.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.612 1.195 . . . . 0.0 109.266 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 63.7 t90 -68.74 -36.59 78.57 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 1.258 ' CD2' ' CE1' ' A' ' 57' ' ' TYR . 1.1 tt -67.97 -46.07 72.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.267 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.73 -39.35 91.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.417 1.073 . . . . 0.0 109.316 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 60.0 tp -65.37 -41.09 94.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.604 1.19 . . . . 0.0 109.316 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.04 -41.91 98.37 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.488 1.118 . . . . 0.0 110.921 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.504 ' O ' ' CD1' ' A' ' 54' ' ' PHE . 34.7 m -67.0 -36.82 83.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.581 0.812 . . . . 0.0 110.376 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.64 -37.19 76.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.42 1.075 . . . . 0.0 109.21 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.4 tt -65.69 -45.92 81.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.323 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.5 ' O ' ' CB ' ' A' ' 50' ' ' PRO . 78.5 mtp -63.77 -42.65 97.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 111.022 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -63.73 -39.37 97.41 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.46 1.1 . . . . 0.0 111.021 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 61.6 tp -66.98 -40.74 87.49 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.417 0.716 . . . . 0.0 109.288 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.35 -42.7 99.09 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.483 1.115 . . . . 0.0 110.97 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.967 ' CA ' ' CG ' ' A' ' 50' ' ' PRO . 37.9 m -66.72 -40.25 88.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 0.748 . . . . 0.0 110.4 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 59.5 tp -63.25 -45.62 90.67 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.467 1.105 . . . . 0.0 109.284 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 73.7 t80 -62.51 -37.55 86.46 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.527 1.142 . . . . 0.0 111.07 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.484 ' CD2' ' O ' ' A' ' 47' ' ' THR . 88.8 t80 -67.99 -34.65 76.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 111.005 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 23.2 mt -72.03 -39.23 69.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.429 1.081 . . . . 0.0 109.387 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 19.5 t -63.7 -42.22 95.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 109.309 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 40.6 mmtm -74.47 -29.71 61.56 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.562 1.163 . . . . 0.0 109.342 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -65.41 -43.31 95.13 Favored Glycine 0 CA--C 1.531 1.081 0 O-C-N 124.538 1.149 . . . . 0.0 110.994 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 72.2 mtm . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.602 0.825 . . . . 0.0 110.999 179.965 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 51.3 mt -62.77 -41.92 94.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 O-C-N 124.394 1.059 . . . . 0.0 109.381 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.416 ' C ' ' CZ ' ' A' ' 27' ' ' PHE . 98.9 m -63.83 -27.82 69.43 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.551 1.157 . . . . 0.0 110.454 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.484 ' O ' ' CD2' ' A' ' 27' ' ' PHE . 90.7 m -87.05 -18.96 29.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.362 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 6.1 mp -103.09 13.28 34.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.562 1.164 . . . . 0.0 109.304 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.566 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 1.0 OUTLIER -60.18 -49.03 92.72 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.396 1.06 . . . . 0.0 109.364 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.967 ' CG ' ' CA ' ' A' ' 24' ' ' THR . 18.9 Cg_endo -75.04 -24.15 13.03 Favored 'Trans proline' 0 C--N 1.361 1.223 0 O-C-N 124.456 1.766 . . . . 0.0 111.089 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.79 ' N ' ' CG2' ' A' ' 24' ' ' THR . . . -70.2 -40.16 74.75 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.583 1.177 . . . . 0.0 109.265 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 47.5 mt -74.21 -39.62 49.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 O-C-N 124.686 1.241 . . . . 0.0 109.247 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.421 ' O ' ' CE ' ' A' ' 20' ' ' MET . . . -61.12 -42.63 98.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.563 1.165 . . . . 0.0 109.3 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.504 ' CD1' ' O ' ' A' ' 17' ' ' THR . 87.5 t80 -67.32 -41.52 85.16 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.425 1.078 . . . . 0.0 111.16 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 53.2 m -60.13 -41.75 93.34 Favored 'General case' 0 N--CA 1.45 -0.43 0 O-C-N 124.353 1.033 . . . . 0.0 110.543 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 83.7 mtp -69.73 -39.31 76.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 110.908 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 1.258 ' CE1' ' CD2' ' A' ' 13' ' ' LEU . 77.2 t80 -65.75 -31.48 72.49 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.593 1.183 . . . . 0.0 111.055 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -81.82 -33.61 30.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 34.0 t -72.89 -11.83 60.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.963 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 50.1 ttm -106.23 -45.82 4.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.667 1.229 . . . . 0.0 111.071 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.512 ' CD1' ' CD1' ' A' ' 10' ' ' TRP . 22.1 tp -57.55 -60.77 3.16 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.428 1.08 . . . . 0.0 109.283 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.71 -46.91 34.48 Favored 'General case' 0 C--N 1.322 -0.625 0 O-C-N 124.59 1.181 . . . . 0.0 109.371 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 100.41 89.11 2.02 Favored Glycine 0 CA--C 1.531 1.079 0 O-C-N 124.438 1.086 . . . . 0.0 110.969 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -140.89 17.39 2.31 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.599 0.823 . . . . 0.0 111.096 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 177.71 -48.69 0.1 OUTLIER Glycine 0 CA--C 1.533 1.173 0 O-C-N 124.493 1.12 . . . . 0.0 111.071 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.9 mm? . . . . . 0 C--N 1.323 -0.58 0 O-C-N 124.628 0.84 . . . . 0.0 109.252 179.974 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo . . . . . 0 N--CA 1.453 -0.877 0 N-CA-C 111.039 -0.408 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -71.36 -43.18 67.4 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.44 1.087 . . . . 0.0 110.317 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . 1.355 ' CE2' ' CD1' ' A' ' 61' ' ' LEU . 79.4 t90 -70.04 -31.56 69.26 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 8.3 mm -70.24 -38.2 73.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 109.314 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 64.3 t90 -68.41 -35.86 78.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 108.06 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 1.462 ' CD1' ' CE ' ' A' ' 60' ' ' MET . 1.2 tt -67.16 -46.45 73.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.86 -39.01 90.42 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.454 1.096 . . . . 0.0 109.296 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.7 tt -65.41 -40.33 93.24 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.407 1.067 . . . . 0.0 109.294 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.6 -41.83 97.64 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.529 1.143 . . . . 0.0 110.943 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.516 ' N ' ' CZ ' ' A' ' 57' ' ' TYR . 33.0 m -67.34 -36.82 82.21 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.466 0.745 . . . . 0.0 110.41 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.38 -37.64 77.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 59.8 tp -65.61 -46.46 79.23 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.486 1.116 . . . . 0.0 109.275 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 78.0 mtp -62.57 -43.38 98.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 111.013 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.21 -43.4 99.16 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.519 1.137 . . . . 0.0 111.012 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.5 tt -63.39 -42.51 98.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 0.769 . . . . 0.0 109.309 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.93 -43.93 97.63 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.581 1.176 . . . . 0.0 111.039 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 1.44 ' OG1' ' CB ' ' A' ' 50' ' ' PRO . 33.9 m -64.46 -38.06 89.7 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.614 0.832 . . . . 0.0 110.393 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.1 tt -63.22 -45.11 93.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.564 1.165 . . . . 0.0 109.369 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -64.27 -38.57 91.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 111.04 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.628 ' CZ ' ' C ' ' A' ' 46' ' ' THR . 88.3 t80 -64.6 -36.78 85.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 110.985 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 20.6 mt -68.98 -40.31 78.89 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.473 1.108 . . . . 0.0 109.344 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 24.3 t -63.34 -38.86 83.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 45.2 mttm -70.13 -37.81 75.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -61.95 -46.41 94.15 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.423 1.077 . . . . 0.0 110.998 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 70.8 mtm . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.488 0.757 . . . . 0.0 111.007 179.932 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 44.4 mt -62.45 -43.06 97.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.411 1.069 . . . . 0.0 109.233 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.628 ' C ' ' CZ ' ' A' ' 27' ' ' PHE . 50.4 m -65.88 -24.7 66.92 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 0.0 110.469 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 96.2 m -87.93 -16.74 33.0 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.51 1.131 . . . . 0.0 110.473 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 5.2 mp -102.92 5.29 38.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.67 1.231 . . . . 0.0 109.336 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.559 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 1.1 t -61.25 -49.44 88.08 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.326 1.017 . . . . 0.0 109.375 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 1.44 ' CB ' ' OG1' ' A' ' 24' ' ' THR . 18.6 Cg_endo -74.8 -23.35 14.34 Favored 'Trans proline' 0 C--N 1.358 1.048 0 O-C-N 124.575 1.829 . . . . 0.0 111.157 179.757 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.482 ' N ' ' CG2' ' A' ' 24' ' ' THR . . . -70.61 -41.52 72.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 6.2 mm -73.49 -40.62 55.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.562 1.163 . . . . 0.0 109.248 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.13 -41.94 93.72 Favored 'General case' 0 C--N 1.327 -0.384 0 O-C-N 124.575 1.172 . . . . 0.0 109.29 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.404 ' CD1' ' O ' ' A' ' 17' ' ' THR . 76.5 t80 -68.06 -40.15 82.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.444 1.09 . . . . 0.0 110.95 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 53.7 m -61.65 -42.42 98.88 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.509 1.131 . . . . 0.0 110.43 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -67.34 -44.35 79.3 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.553 1.158 . . . . 0.0 111.057 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 1.418 ' CE1' ' CD2' ' A' ' 13' ' ' LEU . 86.1 t80 -66.33 -29.64 69.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.589 1.18 . . . . 0.0 111.068 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 13.2 tp -78.3 -33.65 49.26 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 124.432 1.082 . . . . 0.0 109.195 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 46.9 t -70.03 -15.3 62.99 Favored 'General case' 0 C--N 1.328 -0.357 0 O-C-N 124.488 1.117 . . . . 0.0 109.992 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 1.462 ' CE ' ' CD1' ' A' ' 13' ' ' LEU . 57.7 ttp -101.94 -55.37 2.51 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.453 1.096 . . . . 0.0 110.998 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 1.355 ' CD1' ' CE2' ' A' ' 10' ' ' TRP . 0.2 OUTLIER -56.89 -61.7 2.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.088 . . . . 0.0 109.437 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.02 -40.38 87.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.114 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 85.49 86.79 0.97 Allowed Glycine 0 CA--C 1.532 1.101 0 O-C-N 124.694 1.247 . . . . 0.0 110.903 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -129.52 6.78 5.25 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.563 0.802 . . . . 0.0 111.074 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 177.1 -50.46 0.1 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.354 1.034 . . . . 0.0 110.966 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 5.2 mp . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.502 0.766 . . . . 0.0 109.322 -179.958 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo . . . . . 0 N--CA 1.453 -0.865 0 N-CA-C 111.099 -0.385 . . . . 0.0 111.099 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -70.2 -36.36 74.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.355 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 68.6 t90 -72.06 -33.64 68.1 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.526 1.141 . . . . 0.0 108.038 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 8.4 mm -70.47 -38.07 72.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 73.7 t-105 -69.43 -36.58 76.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.605 1.19 . . . . 0.0 107.991 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 1.254 ' CD2' ' CB ' ' A' ' 61' ' ' LEU . 3.6 tt -66.57 -43.63 84.44 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.525 1.14 . . . . 0.0 109.328 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.56 -38.54 91.38 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.575 1.172 . . . . 0.0 109.248 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.8 tt -65.22 -40.41 94.08 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.548 1.155 . . . . 0.0 109.362 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.04 -42.24 96.8 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.49 1.119 . . . . 0.0 111.006 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.502 ' N ' ' CZ ' ' A' ' 57' ' ' TYR . 44.1 m -66.41 -36.97 84.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 0.78 . . . . 0.0 110.436 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.67 -37.42 76.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 109.302 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.5 tt -65.59 -45.64 82.46 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.458 1.099 . . . . 0.0 109.33 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.505 ' O ' ' CB ' ' A' ' 50' ' ' PRO . 78.5 mtp -63.99 -42.13 97.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 110.921 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -64.27 -39.5 97.09 Favored Glycine 0 CA--C 1.529 0.91 0 O-C-N 124.523 1.139 . . . . 0.0 111.049 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 31.6 tp -66.74 -41.1 88.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.459 0.74 . . . . 0.0 109.347 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.28 -43.97 97.66 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.545 1.153 . . . . 0.0 111.03 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.997 ' CA ' ' CG ' ' A' ' 50' ' ' PRO . 58.4 m -65.84 -38.31 88.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.444 0.732 . . . . 0.0 110.36 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 59.6 tp -63.91 -48.34 77.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.592 1.183 . . . . 0.0 109.272 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 35.7 t80 -62.0 -34.92 77.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 111.062 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.598 ' CZ ' ' C ' ' A' ' 46' ' ' THR . 89.1 t80 -67.35 -35.41 79.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.441 1.088 . . . . 0.0 110.99 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 21.0 mt -74.36 -33.08 62.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 109.295 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 11.0 t -61.58 -53.67 45.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.609 1.193 . . . . 0.0 109.296 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.5 ptpp? -71.75 -24.23 61.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.331 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -65.04 -43.83 95.23 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.405 1.065 . . . . 0.0 110.955 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 72.1 mtm . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.453 0.737 . . . . 0.0 111.049 -179.991 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.4 mp -61.62 -41.36 89.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.421 1.075 . . . . 0.0 109.409 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.598 ' C ' ' CZ ' ' A' ' 27' ' ' PHE . 60.7 m -64.41 -28.2 69.52 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.616 1.198 . . . . 0.0 110.414 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.511 ' O ' ' CD2' ' A' ' 27' ' ' PHE . 93.9 m -87.41 -16.97 33.37 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.448 1.093 . . . . 0.0 110.468 179.82 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 21.2 mt -104.5 13.12 32.36 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.3 1.0 . . . . 0.0 109.202 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.56 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 1.0 OUTLIER -60.35 -49.07 92.09 Favored Pre-proline 0 N--CA 1.451 -0.405 0 O-C-N 124.339 1.024 . . . . 0.0 109.249 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.997 ' CG ' ' CA ' ' A' ' 24' ' ' THR . 17.8 Cg_endo -75.19 -24.09 12.86 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.415 1.745 . . . . 0.0 110.817 -179.757 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.731 ' N ' ' CG2' ' A' ' 24' ' ' THR . . . -70.72 -40.11 73.01 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.348 1.03 . . . . 0.0 109.405 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 45.9 mt -73.41 -40.26 56.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.438 1.086 . . . . 0.0 109.342 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.43 ' O ' ' CE ' ' A' ' 20' ' ' MET . . . -61.61 -40.95 96.67 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.637 1.211 . . . . 0.0 109.392 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -68.42 -38.5 81.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 111.061 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 41.7 m -60.81 -43.49 98.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 110.252 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 62.2 mtm -68.87 -41.94 77.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.415 1.072 . . . . 0.0 110.873 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.722 ' CE1' ' CG ' ' A' ' 13' ' ' LEU . 85.6 t80 -66.02 -29.5 69.88 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 124.426 1.079 . . . . 0.0 111.078 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 9.8 tp -82.85 -31.36 28.07 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.673 1.233 . . . . 0.0 109.347 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 40.6 t -73.45 -13.14 61.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.564 1.165 . . . . 0.0 109.959 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 36.6 ttm -107.52 -56.25 2.24 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.59 1.181 . . . . 0.0 110.901 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 1.254 ' CB ' ' CD2' ' A' ' 13' ' ' LEU . 6.9 tp -55.78 -61.53 2.3 Favored 'General case' 0 C--N 1.321 -0.643 0 O-C-N 124.288 0.993 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.17 -35.64 74.14 Favored 'General case' 0 C--N 1.323 -0.585 0 O-C-N 124.63 1.206 . . . . 0.0 109.331 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 82.36 95.21 0.52 Allowed Glycine 0 CA--C 1.528 0.892 0 O-C-N 124.52 1.137 . . . . 0.0 111.012 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -149.7 23.43 0.89 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.436 0.727 . . . . 0.0 110.836 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 174.84 -51.18 0.13 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.31 1.006 . . . . 0.0 110.974 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 11.3 mt . . . . . 0 C--N 1.322 -0.602 0 O-C-N 124.603 0.825 . . . . 0.0 109.244 -179.988 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo . . . . . 0 N--CA 1.453 -0.856 0 N-CA-C 110.943 -0.445 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -71.54 -33.25 68.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.437 1.086 . . . . 0.0 110.278 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . 0.691 ' O ' ' CD1' ' A' ' 61' ' ' LEU . 69.8 t90 -71.89 -35.46 69.74 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.572 1.17 . . . . 0.0 107.983 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 7.1 mm -70.49 -38.23 72.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.57 1.169 . . . . 0.0 109.295 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 73.5 t-105 -68.28 -36.91 80.11 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.562 ' CB ' ' CD1' ' A' ' 61' ' ' LEU . 3.7 tt -66.63 -43.97 83.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 1.055 ' C ' ' OH ' ' A' ' 57' ' ' TYR . . . -63.99 -38.19 90.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.095 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.748 ' N ' ' OH ' ' A' ' 57' ' ' TYR . 3.8 tt -65.68 -40.29 92.2 Favored 'General case' 0 C--N 1.327 -0.373 0 O-C-N 124.547 1.155 . . . . 0.0 109.322 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.85 -40.57 95.59 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.484 1.115 . . . . 0.0 111.015 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 1.036 ' N ' ' CZ ' ' A' ' 57' ' ' TYR . 43.6 m -68.01 -35.13 77.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 0.787 . . . . 0.0 110.374 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.29 -35.12 66.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.411 1.069 . . . . 0.0 109.268 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 58.2 tp -66.25 -53.13 40.58 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 67.3 mtm -64.11 -37.95 89.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 110.96 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -63.83 -41.57 98.77 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.484 1.115 . . . . 0.0 110.97 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 63.4 tp -67.84 -39.36 83.86 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.495 0.762 . . . . 0.0 109.254 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -62.92 -42.93 99.58 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.543 1.152 . . . . 0.0 110.976 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 56.1 m -67.83 -38.88 83.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 0.749 . . . . 0.0 110.412 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 16.0 tp -63.38 -45.62 90.27 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.556 1.16 . . . . 0.0 109.27 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 65.3 t80 -64.1 -37.82 88.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 111.029 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.426 ' CZ ' ' N ' ' A' ' 47' ' ' THR . 92.8 t80 -65.01 -38.34 90.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.985 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.701 ' CD2' ' CG2' ' A' ' 47' ' ' THR . 21.1 mt -67.98 -43.98 77.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.438 1.087 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 38.0 t -64.21 -35.32 73.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.268 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.5 ttmm -66.89 -41.86 86.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.29 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -64.76 -42.17 97.25 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.379 1.049 . . . . 0.0 110.998 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.476 0.75 . . . . 0.0 111.03 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.35 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 50.2 mt -63.26 -37.51 79.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.394 1.059 . . . . 0.0 109.331 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.411 ' C ' ' CZ ' ' A' ' 27' ' ' PHE . 97.7 m -70.27 -21.53 62.96 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.621 1.2 . . . . 0.0 110.448 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.701 ' CG2' ' CD2' ' A' ' 28' ' ' LEU . 87.6 m -91.48 -16.82 26.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.632 1.207 . . . . 0.0 110.453 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -101.96 -4.14 26.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.623 1.202 . . . . 0.0 109.453 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.551 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 0.9 OUTLIER -64.7 -49.52 69.35 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.616 1.198 . . . . 0.0 109.316 -179.925 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.551 ' CD ' ' N ' ' A' ' 49' ' ' VAL . 18.1 Cg_endo -75.11 -18.17 18.71 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.552 1.817 . . . . 0.0 110.964 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -72.97 -46.39 52.57 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 124.546 1.153 . . . . 0.0 109.248 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.5 mp -72.12 -36.84 57.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.384 1.052 . . . . 0.0 109.246 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.12 -44.53 96.44 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.397 1.06 . . . . 0.0 109.286 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.685 ' CD1' ' O ' ' A' ' 17' ' ' THR . 88.7 t80 -66.73 -39.48 87.98 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.441 1.088 . . . . 0.0 110.992 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 73.9 m -62.34 -41.49 98.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.417 1.073 . . . . 0.0 110.509 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -69.85 -38.73 76.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.595 1.184 . . . . 0.0 111.045 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 1.055 ' OH ' ' C ' ' A' ' 14' ' ' ALA . 86.1 t80 -64.87 -32.0 73.5 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.009 -0.996 . . . . 0.0 110.923 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -82.9 -31.41 27.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.39 1.056 . . . . 0.0 109.439 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 39.3 t -75.72 -7.98 55.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.415 1.072 . . . . 0.0 109.946 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 26.2 ttt -110.94 -51.25 2.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.57 1.168 . . . . 0.0 111.063 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.693 ' CD2' ' CA ' ' A' ' 14' ' ' ALA . 55.8 tp -54.58 -65.25 0.61 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.404 1.065 . . . . 0.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.9 tp -73.89 -31.96 63.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.555 1.16 . . . . 0.0 109.337 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 80.6 88.57 0.56 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.513 1.133 . . . . 0.0 111.071 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -136.7 16.97 3.09 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.385 0.697 . . . . 0.0 111.029 -179.797 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -177.67 -55.15 0.07 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.476 1.11 . . . . 0.0 111.127 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.628 0.84 . . . . 0.0 109.366 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_endo . . . . . 0 N--CA 1.452 -0.914 0 N-CA-C 111.005 -0.421 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -69.5 -34.32 74.14 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.495 1.122 . . . . 0.0 110.225 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 72.7 t90 -73.69 -32.86 64.15 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 8.5 mm -71.29 -37.73 66.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.277 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 76.1 t-105 -69.96 -36.89 75.61 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.495 1.122 . . . . 0.0 108.029 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 1.548 ' CD2' ' CD2' ' A' ' 61' ' ' LEU . 3.7 tt -66.38 -43.51 85.71 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.506 1.129 . . . . 0.0 109.347 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.62 -38.68 91.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.428 1.08 . . . . 0.0 109.28 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.9 tt -65.1 -40.62 94.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.439 1.087 . . . . 0.0 109.246 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.01 -42.47 96.74 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.391 1.057 . . . . 0.0 111.009 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.498 ' O ' ' CD1' ' A' ' 54' ' ' PHE . 41.3 m -66.22 -37.0 84.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.434 0.726 . . . . 0.0 110.372 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.84 -37.49 76.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.158 . . . . 0.0 109.278 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.5 tt -65.52 -45.58 82.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.198 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.418 ' O ' ' CB ' ' A' ' 50' ' ' PRO . 78.6 mtp -64.28 -42.15 96.56 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.478 1.111 . . . . 0.0 111.015 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -63.9 -39.6 97.5 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.463 1.102 . . . . 0.0 110.949 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 60.5 tp -67.6 -39.96 84.76 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.457 0.74 . . . . 0.0 109.299 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.64 -42.93 98.58 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.481 1.113 . . . . 0.0 111.006 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.906 ' CA ' ' CG ' ' A' ' 50' ' ' PRO . 45.1 m -67.27 -39.86 86.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 0.773 . . . . 0.0 110.416 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 59.0 tp -63.01 -45.82 90.57 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.416 1.072 . . . . 0.0 109.345 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 69.1 t80 -63.59 -37.13 86.16 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.456 1.097 . . . . 0.0 111.032 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.496 ' CZ ' ' C ' ' A' ' 46' ' ' THR . 88.2 t80 -66.77 -33.92 76.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.576 1.173 . . . . 0.0 111.028 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 22.2 mt -73.96 -42.32 60.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.565 1.165 . . . . 0.0 109.307 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 23.8 t -62.17 -44.68 99.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.516 1.135 . . . . 0.0 109.273 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.9 mmmm -73.06 -28.1 62.12 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -62.83 -62.08 5.85 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.508 1.13 . . . . 0.0 110.966 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 18.2 ptp . . . . . 0 C--N 1.326 -0.438 0 O-C-N 124.462 0.742 . . . . 0.0 111.103 179.978 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 47.7 mt -62.6 -41.91 93.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 O-C-N 124.482 1.114 . . . . 0.0 109.24 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.496 ' C ' ' CZ ' ' A' ' 27' ' ' PHE . 96.7 m -65.44 -26.78 68.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.587 1.18 . . . . 0.0 110.421 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 93.8 m -87.8 -16.45 34.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.534 1.146 . . . . 0.0 110.486 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 24.8 mt -104.46 10.39 35.24 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.664 1.227 . . . . 0.0 109.285 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.562 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 1.0 OUTLIER -60.93 -49.24 89.99 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.565 1.166 . . . . 0.0 109.18 -179.936 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.906 ' CG ' ' CA ' ' A' ' 24' ' ' THR . 18.3 Cg_endo -74.95 -23.75 13.6 Favored 'Trans proline' 0 C--N 1.358 1.049 0 O-C-N 124.541 1.811 . . . . 0.0 110.99 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.723 ' N ' ' CG2' ' A' ' 24' ' ' THR . . . -70.64 -40.82 72.86 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 6.1 mm -73.81 -38.7 51.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.084 . . . . 0.0 109.333 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.17 -41.9 98.75 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.575 1.172 . . . . 0.0 109.133 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.498 ' CD1' ' O ' ' A' ' 17' ' ' THR . 86.7 t80 -68.37 -39.55 81.73 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.438 1.086 . . . . 0.0 111.092 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 54.2 m -62.28 -43.02 99.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.415 1.072 . . . . 0.0 110.32 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 81.7 mtp -68.04 -43.58 78.39 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.488 1.118 . . . . 0.0 110.842 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.638 ' CE1' ' CG ' ' A' ' 13' ' ' LEU . 78.1 t80 -62.65 -36.46 82.91 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.672 1.233 . . . . 0.0 111.039 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 8.1 tp -74.92 -34.76 62.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.585 1.178 . . . . 0.0 109.329 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 47.3 t -74.36 -6.86 50.55 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 0.0 110.016 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 49.3 ttm -107.25 -41.53 5.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.584 1.177 . . . . 0.0 111.04 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 1.548 ' CD2' ' CD2' ' A' ' 13' ' ' LEU . 0.2 OUTLIER -61.12 -64.45 0.95 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.605 1.19 . . . . 0.0 109.366 -179.929 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 9.8 mt -74.27 -34.9 63.71 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.385 1.053 . . . . 0.0 109.19 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 88.08 95.0 0.98 Allowed Glycine 0 CA--C 1.533 1.167 0 O-C-N 124.296 0.997 . . . . 0.0 110.986 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -144.01 19.66 1.78 Allowed 'General case' 0 C--N 1.322 -0.599 0 O-C-N 124.527 0.781 . . . . 0.0 111.061 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 172.78 -49.55 0.17 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.54 1.15 . . . . 0.0 110.995 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.8 mm? . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.539 0.788 . . . . 0.0 109.283 -179.978 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo . . . . . 0 N--CA 1.452 -0.949 0 N-CA-C 111.018 -0.416 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -71.27 -34.54 70.8 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.52 1.137 . . . . 0.0 110.34 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . 1.434 ' CD1' ' CD1' ' A' ' 61' ' ' LEU . 71.2 t90 -71.16 -35.41 71.64 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 107.967 -1.124 . . . . 0.0 107.967 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 7.4 mm -70.98 -37.8 69.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 62.9 t90 -68.15 -37.83 81.48 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.918 -1.142 . . . . 0.0 107.918 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 1.52 ' CD2' ' CB ' ' A' ' 61' ' ' LEU . 3.5 tt -66.85 -43.3 84.0 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.58 -38.61 91.78 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.5 tp -65.34 -41.4 93.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.574 1.171 . . . . 0.0 109.383 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.03 -40.44 97.08 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.534 1.146 . . . . 0.0 111.031 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 1.497 ' OG1' ' CD1' ' A' ' 57' ' ' TYR . 44.2 m -68.2 -35.54 78.15 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.423 0.72 . . . . 0.0 110.297 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.68 -34.08 66.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.268 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 57.9 tp -67.25 -52.38 41.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 109.301 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.513 ' SD ' ' CB ' ' A' ' 53' ' ' ALA . 65.5 mtm -65.32 -33.9 77.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 111.061 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.515 ' CA ' ' CD1' ' A' ' 54' ' ' PHE . . . -67.75 -41.85 88.15 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.594 1.184 . . . . 0.0 111.048 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 62.7 tp -68.3 -40.87 81.59 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.564 0.802 . . . . 0.0 109.282 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.56 -39.24 97.41 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.462 1.101 . . . . 0.0 111.001 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 1.373 ' OG1' ' CB ' ' A' ' 50' ' ' PRO . 92.7 m -69.82 -39.98 76.18 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.453 0.737 . . . . 0.0 110.43 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.7 tt -64.12 -43.46 95.22 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 124.429 1.08 . . . . 0.0 109.352 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 81.4 t80 -65.22 -37.23 86.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 111.03 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.94 ' CD2' ' CG2' ' A' ' 47' ' ' THR . 92.1 t80 -66.3 -36.38 82.81 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.363 1.04 . . . . 0.0 111.075 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.819 ' CD2' ' CG2' ' A' ' 47' ' ' THR . 21.8 mt -70.57 -44.16 67.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.541 1.15 . . . . 0.0 109.3 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 33.6 t -64.25 -36.82 78.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 0.0 109.36 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -71.33 -35.12 71.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -67.69 -38.38 89.87 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.496 1.123 . . . . 0.0 111.135 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.499 0.764 . . . . 0.0 111.008 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.239 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 44.9 mt -63.91 -39.21 84.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 O-C-N 124.612 1.195 . . . . 0.0 109.25 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.482 ' C ' ' CZ ' ' A' ' 27' ' ' PHE . 48.9 m -70.35 -18.82 63.08 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.661 1.226 . . . . 0.0 110.459 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.94 ' CG2' ' CD2' ' A' ' 27' ' ' PHE . 97.6 m -93.67 -17.3 23.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 110.334 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -101.86 -6.94 22.94 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.144 . . . . 0.0 109.33 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.548 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 0.9 OUTLIER -63.47 -49.49 77.98 Favored Pre-proline 0 N--CA 1.452 -0.362 0 O-C-N 124.513 1.133 . . . . 0.0 109.413 -179.932 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 1.373 ' CB ' ' OG1' ' A' ' 24' ' ' THR . 18.6 Cg_endo -74.99 -21.06 16.28 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.327 1.698 . . . . 0.0 111.064 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.414 ' N ' ' CG2' ' A' ' 24' ' ' THR . . . -73.07 -41.5 64.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.601 1.188 . . . . 0.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 49.9 mt -72.31 -37.28 57.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 O-C-N 124.41 1.069 . . . . 0.0 109.37 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.513 ' CB ' ' SD ' ' A' ' 20' ' ' MET . . . -64.05 -42.7 96.93 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.417 1.073 . . . . 0.0 109.348 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.98 ' CD1' ' O ' ' A' ' 17' ' ' THR . 50.6 t80 -66.51 -37.81 85.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.133 . . . . 0.0 111.103 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 94.6 m -67.23 -42.42 84.05 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.56 1.162 . . . . 0.0 110.377 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 79.0 mtp -67.2 -37.42 83.61 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.547 1.154 . . . . 0.0 111.088 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 1.497 ' CD1' ' OG1' ' A' ' 17' ' ' THR . 27.4 t80 -61.1 -39.07 88.57 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.549 1.156 . . . . 0.0 111.027 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.496 ' CG ' ' CG2' ' A' ' 17' ' ' THR . 20.5 mt -77.48 -30.61 53.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.611 1.194 . . . . 0.0 109.208 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 22.7 t -75.13 -6.8 51.5 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.442 1.089 . . . . 0.0 109.929 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 1.298 ' CE ' ' CD1' ' A' ' 13' ' ' LEU . 49.6 ttp -110.03 -50.76 2.94 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.499 1.124 . . . . 0.0 110.963 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 1.52 ' CB ' ' CD2' ' A' ' 13' ' ' LEU . 0.2 OUTLIER -57.4 -61.96 2.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.306 1.004 . . . . 0.0 109.29 -179.89 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.5 mt -74.26 -33.44 63.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.356 1.035 . . . . 0.0 109.226 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 79.76 91.86 0.42 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.363 1.04 . . . . 0.0 111.032 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -143.06 18.99 1.94 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 0.752 . . . . 0.0 111.015 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 176.57 -53.03 0.11 Allowed Glycine 0 CA--C 1.532 1.141 0 CA-C-N 114.868 -1.06 . . . . 0.0 110.938 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.323 -0.572 0 O-C-N 124.623 0.837 . . . . 0.0 109.28 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 56.4 mm-40 -74.6 -54.32 7.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 110.367 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 32.0 mm -98.19 76.6 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.447 1.092 . . . . 0.0 109.257 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 12.7 t -77.02 -19.31 57.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.6 1.188 . . . . 0.0 110.4 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -55.39 -52.1 49.99 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.513 1.133 . . . . 0.0 111.044 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -98.13 122.36 54.47 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.535 0.785 . . . . 0.0 110.273 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -71.74 -18.93 28.18 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.525 1.802 . . . . 0.0 111.132 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -69.04 -38.01 78.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.57 1.169 . . . . 0.0 110.358 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.557 ' CE2' ' CD1' ' A' ' 61' ' ' LEU . 69.0 t90 -69.04 -35.25 76.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.58 1.175 . . . . 0.0 108.026 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 8.2 mm -69.4 -36.87 73.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.579 1.174 . . . . 0.0 109.257 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 75.5 t-105 -68.25 -35.27 77.65 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.547 1.155 . . . . 0.0 107.99 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 1.555 ' CD2' ' CE1' ' A' ' 57' ' ' TYR . 1.3 tt -67.53 -47.19 70.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.269 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.98 -38.11 87.35 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 0.0 109.187 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.8 tt -65.59 -41.08 93.23 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.506 1.129 . . . . 0.0 109.345 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.51 -40.8 97.96 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.529 1.143 . . . . 0.0 111.008 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 32.2 m -67.95 -37.08 81.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 0.763 . . . . 0.0 110.42 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.17 -35.82 74.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.442 1.089 . . . . 0.0 109.349 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.5 tt -66.7 -46.43 75.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.616 1.197 . . . . 0.0 109.317 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.669 ' O ' ' CB ' ' A' ' 50' ' ' PRO . 62.8 mmm -64.81 -39.57 93.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 111.036 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -66.76 -38.98 93.49 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.437 1.086 . . . . 0.0 110.96 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 64.5 tp -66.16 -46.25 78.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 0.775 . . . . 0.0 109.307 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -62.4 -39.12 97.37 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.525 1.14 . . . . 0.0 110.981 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 1.087 ' CA ' ' CG ' ' A' ' 50' ' ' PRO . 87.3 m -67.93 -34.9 77.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.435 0.727 . . . . 0.0 110.359 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.5 tt -62.61 -49.51 74.93 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -62.59 -37.18 85.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.575 1.172 . . . . 0.0 110.987 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 1.145 ' CD2' ' O ' ' A' ' 47' ' ' THR . 85.7 t80 -65.34 -35.06 79.82 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.136 . . . . 0.0 111.015 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 25.7 mt -72.76 -40.18 66.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.38 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 28.7 t -64.56 -41.6 92.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 53.8 mttp -72.75 -30.57 64.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -66.71 -45.46 84.14 Favored Glycine 0 CA--C 1.528 0.902 0 O-C-N 124.427 1.08 . . . . 0.0 110.962 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 72.1 mtm -76.98 -29.5 55.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 0.765 . . . . 0.0 111.001 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.459 ' O ' ' C ' ' A' ' 34' ' ' VAL . . . -71.51 -39.42 61.08 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.518 1.136 . . . . 0.0 110.979 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.459 ' C ' ' O ' ' A' ' 33' ' ' GLY . 7.1 p . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.426 0.721 . . . . 0.0 109.342 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.887 0 N-CA-C 111.013 -0.418 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -83.01 -15.19 52.14 Favored 'General case' 0 N--CA 1.451 -0.418 0 O-C-N 124.515 1.135 . . . . 0.0 109.257 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.75 -27.82 67.91 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.56 1.163 . . . . 0.0 109.319 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 48.5 mtmt -69.22 -41.48 76.99 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.608 1.192 . . . . 0.0 109.227 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 5.3 mtmp? -68.57 -44.06 75.23 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.434 1.084 . . . . 0.0 109.235 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 83.6 t80 -59.97 -41.77 92.69 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 124.451 1.095 . . . . 0.0 111.085 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 83.0 t80 -68.56 -40.15 80.73 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.599 1.187 . . . . 0.0 110.945 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.67 -44.94 96.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.336 1.022 . . . . 0.0 109.288 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 6.7 mm -64.47 -42.36 95.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.5 1.125 . . . . 0.0 109.245 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 1.057 ' C ' ' CZ ' ' A' ' 27' ' ' PHE . 64.0 m -60.81 -29.94 69.77 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.442 1.089 . . . . 0.0 110.447 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 1.145 ' O ' ' CD2' ' A' ' 27' ' ' PHE . 59.1 m -85.95 -21.8 27.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.474 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 6.5 mp -102.61 19.07 19.78 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.643 1.214 . . . . 0.0 109.207 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.56 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 1.0 OUTLIER -60.35 -49.18 91.63 Favored Pre-proline 0 C--N 1.324 -0.54 0 O-C-N 124.515 1.134 . . . . 0.0 109.259 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 1.087 ' CG ' ' CA ' ' A' ' 24' ' ' THR . 18.4 Cg_endo -74.94 -24.29 13.09 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.36 1.716 . . . . 0.0 111.007 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.811 ' N ' ' CG2' ' A' ' 24' ' ' THR . . . -69.78 -42.1 74.23 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.461 1.101 . . . . 0.0 109.299 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 46.4 mt -72.98 -39.31 57.73 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.442 0 O-C-N 124.389 1.056 . . . . 0.0 109.362 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.64 -40.66 92.79 Favored 'General case' 0 N--CA 1.45 -0.451 0 O-C-N 124.431 1.082 . . . . 0.0 109.334 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -67.8 -41.75 82.68 Favored 'General case' 0 N--CA 1.449 -0.516 0 O-C-N 124.64 1.212 . . . . 0.0 111.081 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 85.3 m -61.76 -39.8 92.9 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.452 1.095 . . . . 0.0 110.429 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 81.9 mtp -69.45 -39.19 77.93 Favored 'General case' 0 C--N 1.327 -0.378 0 O-C-N 124.547 1.155 . . . . 0.0 111.131 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 1.555 ' CE1' ' CD2' ' A' ' 13' ' ' LEU . 67.6 t80 -72.11 -28.33 63.21 Favored 'General case' 0 C--N 1.322 -0.602 0 O-C-N 124.541 1.15 . . . . 0.0 110.931 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 8.8 tp -78.15 -41.27 35.36 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.413 1.071 . . . . 0.0 109.373 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 92.9 p -60.72 -25.69 66.62 Favored 'General case' 0 N--CA 1.45 -0.468 0 O-C-N 124.396 1.06 . . . . 0.0 110.091 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.948 ' CE ' ' CD1' ' A' ' 13' ' ' LEU . 54.4 ttp -92.8 -43.74 8.86 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.56 1.162 . . . . 0.0 111.106 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.557 ' CD1' ' CE2' ' A' ' 10' ' ' TRP . 30.4 tp -58.29 -60.26 4.04 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.478 1.111 . . . . 0.0 109.47 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 10.3 mp -70.5 -34.1 71.97 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 73.78 43.66 34.42 Favored Glycine 0 CA--C 1.533 1.163 0 O-C-N 124.488 1.118 . . . . 0.0 110.94 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 6.1 p90 -109.49 -17.5 13.74 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.699 0.882 . . . . 0.0 110.867 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -127.12 5.11 7.32 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.524 1.14 . . . . 0.0 110.993 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -122.23 -59.51 1.64 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.539 0.787 . . . . 0.0 109.382 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 36.7 m -65.23 -40.73 94.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.67 1.231 . . . . 0.0 110.371 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 58.0 mtt -71.14 -51.91 22.31 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.595 1.184 . . . . 0.0 110.995 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 15.4 m -136.0 153.27 76.8 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.614 1.197 . . . . 0.0 109.247 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo . . . . . 0 C--N 1.361 1.221 0 O-C-N 124.434 1.755 . . . . 0.0 110.845 -179.853 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 1.135 ' CD ' ' O ' ' A' ' 62' ' ' LEU . 44.6 mt-30 -101.9 75.2 1.52 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.522 1.139 . . . . 0.0 110.246 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 14.6 mm -97.21 147.33 6.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.144 . . . . 0.0 109.313 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.3 t -101.3 37.14 1.84 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.558 1.161 . . . . 0.0 110.45 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -107.64 -72.47 0.78 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.587 1.18 . . . . 0.0 110.99 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 5.1 ptt-85 -48.58 143.28 7.86 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.447 0.734 . . . . 0.0 110.288 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -74.01 -16.51 22.85 Favored 'Trans proline' 0 C--N 1.361 1.22 0 O-C-N 124.479 1.779 . . . . 0.0 111.063 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.91 -37.03 81.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.399 1.062 . . . . 0.0 110.331 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.609 ' CD1' ' CD1' ' A' ' 61' ' ' LEU . 86.7 t90 -72.9 -32.87 65.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.616 1.198 . . . . 0.0 108.026 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 8.3 mm -70.58 -37.14 68.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.575 1.172 . . . . 0.0 109.365 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 53.9 t90 -70.2 -37.54 75.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.597 1.186 . . . . 0.0 108.067 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.974 ' CD2' ' CA ' ' A' ' 61' ' ' LEU . 10.4 tp -66.28 -43.82 85.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.088 . . . . 0.0 109.329 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.489 ' O ' ' CE2' ' A' ' 57' ' ' TYR . . . -63.87 -40.08 95.7 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.573 1.17 . . . . 0.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 59.8 tp -64.31 -40.23 95.52 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.606 1.191 . . . . 0.0 109.309 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.76 -42.8 96.96 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.53 1.144 . . . . 0.0 111.008 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.917 ' O ' ' CD1' ' A' ' 54' ' ' PHE . 37.1 m -66.61 -36.04 81.64 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.464 0.743 . . . . 0.0 110.421 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.06 -37.77 75.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.337 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.3 tt -65.57 -45.76 82.06 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.536 1.148 . . . . 0.0 109.322 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 1.506 ' CE ' ' CB ' ' A' ' 53' ' ' ALA . 79.3 mtp -64.31 -41.51 96.81 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 110.938 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.547 ' CA ' ' CD1' ' A' ' 54' ' ' PHE . . . -64.32 -39.91 97.4 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.441 1.088 . . . . 0.0 111.007 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 61.5 tp -67.66 -39.34 84.56 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.532 0.784 . . . . 0.0 109.371 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.84 -42.69 98.37 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.494 1.121 . . . . 0.0 110.983 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 1.221 ' OG1' ' CB ' ' A' ' 50' ' ' PRO . 43.7 m -67.66 -40.3 84.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 0.784 . . . . 0.0 110.45 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.7 tt -62.64 -45.5 92.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.363 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -63.88 -37.54 87.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 110.966 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 1.008 ' CD2' ' CG2' ' A' ' 47' ' ' THR . 88.6 t80 -66.51 -33.88 76.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.542 1.151 . . . . 0.0 111.053 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.774 ' CD2' ' CG2' ' A' ' 47' ' ' THR . 22.7 mt -74.65 -41.94 59.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.313 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 17.3 t -61.84 -45.04 99.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.113 . . . . 0.0 109.314 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.8 mmmm -71.94 -33.46 68.24 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.445 1.091 . . . . 0.0 109.337 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.37 -45.29 96.44 Favored Glycine 0 CA--C 1.532 1.146 0 O-C-N 124.42 1.075 . . . . 0.0 110.916 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 70.6 mtm -76.61 -32.67 58.22 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.553 0.796 . . . . 0.0 111.024 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.431 ' O ' ' C ' ' A' ' 34' ' ' VAL . . . 112.51 76.93 0.81 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.591 1.182 . . . . 0.0 111.027 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.431 ' C ' ' O ' ' A' ' 33' ' ' GLY . 7.6 p . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.529 0.782 . . . . 0.0 109.291 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.884 0 N-CA-C 111.011 -0.419 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -178.59 -42.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.16 -38.81 89.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.303 1.002 . . . . 0.0 109.258 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 64.2 mttm -69.82 -42.05 74.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.389 1.056 . . . . 0.0 109.21 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 5.0 mtmp? -62.7 -44.26 96.7 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.621 1.2 . . . . 0.0 109.296 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 81.6 t80 -61.72 -45.88 92.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.434 1.084 . . . . 0.0 110.967 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 85.0 t80 -62.32 -38.33 89.0 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.604 1.19 . . . . 0.0 111.04 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.87 -46.7 89.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.624 1.202 . . . . 0.0 109.234 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.4 mp -63.76 -38.33 82.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 O-C-N 124.51 1.131 . . . . 0.0 109.266 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 37.8 m -69.58 -19.79 63.66 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.453 1.096 . . . . 0.0 110.556 179.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 1.008 ' CG2' ' CD2' ' A' ' 27' ' ' PHE . 96.0 m -93.74 -16.98 23.66 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.529 1.143 . . . . 0.0 110.432 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -101.46 -6.44 23.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.579 1.175 . . . . 0.0 109.348 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.541 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 0.9 OUTLIER -63.95 -49.87 72.72 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.428 1.08 . . . . 0.0 109.371 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 1.221 ' CB ' ' OG1' ' A' ' 24' ' ' THR . 18.3 Cg_endo -74.98 -22.14 15.16 Favored 'Trans proline' 0 C--N 1.361 1.224 0 O-C-N 124.577 1.83 . . . . 0.0 110.953 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.454 ' N ' ' CG2' ' A' ' 24' ' ' THR . . . -71.18 -44.3 65.74 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.684 1.24 . . . . 0.0 109.266 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 6.1 mm -70.51 -37.9 71.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 109.345 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 1.506 ' CB ' ' CE ' ' A' ' 20' ' ' MET . . . -62.1 -41.09 97.87 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.242 0.964 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.917 ' CD1' ' O ' ' A' ' 17' ' ' THR . 48.2 t80 -66.31 -41.36 89.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.329 1.018 . . . . 0.0 110.943 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 57.3 m -65.26 -39.6 92.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.342 1.026 . . . . 0.0 110.234 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 76.1 mtp -69.6 -37.17 76.8 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.466 1.103 . . . . 0.0 110.951 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.873 ' CZ ' ' N ' ' A' ' 17' ' ' THR . 40.0 t80 -62.79 -33.9 76.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.432 1.083 . . . . 0.0 111.154 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.484 ' CG ' ' CG2' ' A' ' 17' ' ' THR . 18.3 mt -83.07 -30.64 27.84 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.444 1.09 . . . . 0.0 109.286 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 42.7 t -72.48 -10.81 60.25 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.568 1.167 . . . . 0.0 110.008 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 23.7 ttt -110.99 -50.15 2.97 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 0.0 110.996 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.974 ' CA ' ' CD2' ' A' ' 13' ' ' LEU . 44.5 tp -54.22 -62.92 1.34 Allowed 'General case' 0 C--N 1.327 -0.399 0 O-C-N 124.464 1.102 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 1.135 ' O ' ' CD ' ' A' ' 3' ' ' GLN . 9.0 mt -75.85 -31.66 59.42 Favored 'General case' 0 C--N 1.322 -0.61 0 O-C-N 124.679 1.237 . . . . 0.0 109.441 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 79.75 91.95 0.41 Allowed Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.546 1.154 . . . . 0.0 110.932 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -146.16 22.81 1.36 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.422 0.719 . . . . 0.0 110.984 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -176.0 -53.95 0.06 OUTLIER Glycine 0 CA--C 1.532 1.105 0 O-C-N 124.449 1.093 . . . . 0.0 111.101 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 10.2 mt -73.03 -22.94 60.56 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.761 0.918 . . . . 0.0 109.217 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 5.1 t -85.04 -20.25 30.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 110.453 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 26.2 mmt -79.51 -38.67 33.8 Favored 'General case' 0 N--CA 1.451 -0.399 0 O-C-N 124.431 1.082 . . . . 0.0 111.052 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 4.4 m -98.45 153.25 38.08 Favored Pre-proline 0 C--N 1.324 -0.534 0 O-C-N 124.491 1.119 . . . . 0.0 109.375 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.359 1.095 0 O-C-N 124.491 1.785 . . . . 0.0 110.99 -179.991 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.232 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 9.2 tp-100 -149.02 131.85 16.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.435 1.085 . . . . 0.0 110.288 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 39.4 mm -85.9 95.72 4.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.9 t -147.17 33.13 0.9 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.522 1.139 . . . . 0.0 110.371 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -174.45 178.85 46.12 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.407 1.067 . . . . 0.0 110.973 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 80.8 mtt85 -72.89 166.78 40.08 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.497 0.763 . . . . 0.0 110.255 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -56.02 -33.26 89.02 Favored 'Trans proline' 0 C--N 1.361 1.223 0 O-C-N 124.486 1.782 . . . . 0.0 110.985 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -71.59 -37.4 71.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.282 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.412 ' NE1' ' O ' ' A' ' 61' ' ' LEU . 85.3 t90 -69.21 -34.92 75.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 107.992 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 7.7 mm -70.52 -38.6 74.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.088 . . . . 0.0 109.299 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 73.9 t-105 -68.2 -34.78 76.9 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 1.363 ' CD1' ' CE ' ' A' ' 60' ' ' MET . 12.1 tp -67.31 -45.87 75.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.27 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.451 ' CB ' ' CD2' ' A' ' 61' ' ' LEU . . . -63.51 -37.53 87.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.263 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.6 tt -65.89 -40.94 92.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.413 1.071 . . . . 0.0 109.374 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.17 -40.22 96.67 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.459 1.1 . . . . 0.0 110.94 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 1.045 ' N ' ' CZ ' ' A' ' 57' ' ' TYR . 41.3 m -68.02 -35.18 77.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 0.796 . . . . 0.0 110.399 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.27 -34.46 65.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.427 1.079 . . . . 0.0 109.341 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 11.9 tp -66.58 -53.12 37.97 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.453 1.095 . . . . 0.0 109.326 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.484 ' SD ' ' CB ' ' A' ' 53' ' ' ALA . 69.3 mtm -64.4 -36.99 85.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 111.003 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -64.41 -41.97 97.83 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.485 1.116 . . . . 0.0 111.047 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 63.2 tp -67.85 -38.99 83.84 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.47 0.747 . . . . 0.0 109.335 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -62.85 -44.53 97.31 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.485 1.116 . . . . 0.0 111.002 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 1.442 ' OG1' ' CB ' ' A' ' 50' ' ' PRO . 52.8 m -66.81 -39.33 87.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.4 0.706 . . . . 0.0 110.427 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.4 tt -62.24 -46.84 87.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.575 1.172 . . . . 0.0 109.32 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 69.2 t80 -64.0 -35.98 82.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.102 . . . . 0.0 110.95 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 1.195 ' CD2' ' CG2' ' A' ' 47' ' ' THR . 76.8 t80 -66.72 -32.0 73.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 110.971 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.76 ' CD2' ' CG2' ' A' ' 47' ' ' THR . 21.9 mt -79.13 -37.26 39.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 9.5 t -60.74 -49.14 85.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 109.255 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.8 pttp -78.64 -24.92 44.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.4 -42.0 95.5 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.538 1.149 . . . . 0.0 110.981 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 63.7 mtm -60.62 -41.99 95.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.563 0.802 . . . . 0.0 111.042 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.454 ' O ' ' C ' ' A' ' 34' ' ' VAL . . . 153.14 69.17 0.01 OUTLIER Glycine 0 CA--C 1.528 0.904 0 O-C-N 124.433 1.083 . . . . 0.0 110.978 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.454 ' C ' ' O ' ' A' ' 33' ' ' GLY . 7.6 p . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.412 0.713 . . . . 0.0 109.298 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo . . . . . 0 N--CA 1.453 -0.894 0 N-CA-C 111.035 -0.41 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -68.83 -33.58 74.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.664 1.228 . . . . 0.0 109.404 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -71.55 -36.45 70.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.589 1.181 . . . . 0.0 109.25 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 59.1 mtpt -69.45 -38.74 77.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 109.323 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 57.0 mtpt -67.68 -43.69 79.57 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.494 1.121 . . . . 0.0 109.28 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -62.72 -42.06 99.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.399 1.062 . . . . 0.0 111.028 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 85.4 t80 -66.16 -40.61 90.68 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.518 1.136 . . . . 0.0 111.049 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.28 -45.78 91.74 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 109.172 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 6.0 mm -62.84 -38.45 81.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.424 ' C ' ' CZ ' ' A' ' 27' ' ' PHE . 98.8 m -68.99 -26.11 64.86 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.388 1.055 . . . . 0.0 110.329 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 1.195 ' CG2' ' CD2' ' A' ' 27' ' ' PHE . 55.8 m -92.24 -7.92 46.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.142 . . . . 0.0 110.476 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.1 tp -102.59 -7.3 21.93 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.491 1.119 . . . . 0.0 109.253 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.551 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 1.3 t -64.89 -49.45 68.43 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.335 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 1.442 ' CB ' ' OG1' ' A' ' 24' ' ' THR . 18.3 Cg_endo -75.11 -17.81 19.01 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.44 1.758 . . . . 0.0 111.004 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.63 -43.48 69.14 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.642 1.214 . . . . 0.0 109.336 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.4 mp -74.4 -37.82 45.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 109.28 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.484 ' CB ' ' SD ' ' A' ' 20' ' ' MET . . . -61.31 -42.62 98.97 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.446 1.091 . . . . 0.0 109.284 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 83.5 t80 -68.22 -41.44 81.29 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.517 1.136 . . . . 0.0 111.029 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 59.3 m -59.78 -41.81 91.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 110.397 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 83.6 mtp -69.4 -41.31 76.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.564 1.165 . . . . 0.0 111.059 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 1.045 ' CZ ' ' N ' ' A' ' 17' ' ' THR . 76.3 t80 -63.65 -31.76 73.03 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.633 1.208 . . . . 0.0 111.122 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -81.65 -33.75 31.19 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.609 1.193 . . . . 0.0 109.211 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 39.0 t -73.54 -8.26 55.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.346 1.029 . . . . 0.0 109.97 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 1.363 ' CE ' ' CD1' ' A' ' 13' ' ' LEU . 50.5 ttp -110.46 -43.72 3.83 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.532 1.145 . . . . 0.0 111.039 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.736 ' CA ' ' CD2' ' A' ' 13' ' ' LEU . 55.9 tp -56.99 -65.68 0.58 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.566 1.166 . . . . 0.0 109.422 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.8 tp -74.61 -39.09 62.38 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.385 1.053 . . . . 0.0 109.19 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 89.98 86.89 1.32 Allowed Glycine 0 CA--C 1.532 1.096 0 O-C-N 124.423 1.077 . . . . 0.0 111.022 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -113.17 -9.75 13.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.609 0.829 . . . . 0.0 110.984 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -177.8 -43.49 0.07 OUTLIER Glycine 0 CA--C 1.528 0.9 0 O-C-N 124.504 1.127 . . . . 0.0 111.088 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.12 -48.05 81.4 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.461 0.742 . . . . 0.0 109.343 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 58.6 m -86.9 -35.42 18.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.562 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 25.0 mmt -86.18 77.87 9.48 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.562 1.164 . . . . 0.0 110.969 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 5.1 m -95.48 152.82 39.51 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.416 1.073 . . . . 0.0 109.211 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo . . . . . 0 C--N 1.36 1.144 0 O-C-N 124.565 1.823 . . . . 0.0 111.061 179.866 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.356 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.665 ' NE2' ' CD2' ' A' ' 62' ' ' LEU . 8.3 tp-100 -156.04 133.88 11.17 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.554 1.159 . . . . 0.0 110.293 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 39.8 mm -91.15 87.52 2.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 O-C-N 124.401 1.063 . . . . 0.0 109.239 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.1 t -110.34 14.64 22.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.463 1.102 . . . . 0.0 110.496 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -87.94 -19.6 52.99 Favored Glycine 0 CA--C 1.529 0.91 0 O-C-N 124.487 1.117 . . . . 0.0 111.051 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 23.7 mmt85 -83.51 143.38 44.26 Favored Pre-proline 0 C--N 1.326 -0.414 0 O-C-N 124.538 0.787 . . . . 0.0 110.291 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -70.24 -23.95 28.03 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.572 1.827 . . . . 0.0 110.963 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -70.1 -38.65 75.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 110.303 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.541 ' O ' ' CD1' ' A' ' 61' ' ' LEU . 58.5 t90 -69.11 -35.75 76.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 107.984 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 6.4 mm -68.74 -38.67 79.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.582 1.177 . . . . 0.0 109.318 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 75.6 t-105 -68.15 -36.24 79.36 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.494 1.121 . . . . 0.0 107.99 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 1.049 ' CD2' ' CA ' ' A' ' 61' ' ' LEU . 10.1 tp -66.18 -44.39 84.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.264 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 1.195 ' C ' ' OH ' ' A' ' 57' ' ' TYR . . . -64.36 -37.4 87.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.752 ' N ' ' OH ' ' A' ' 57' ' ' TYR . 9.9 tp -65.08 -41.55 94.95 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.462 1.101 . . . . 0.0 109.328 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.56 -40.48 96.09 Favored Glycine 0 CA--C 1.528 0.905 0 O-C-N 124.604 1.19 . . . . 0.0 111.013 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.964 ' N ' ' CZ ' ' A' ' 57' ' ' TYR . 43.4 m -67.77 -34.99 77.89 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.363 0.684 . . . . 0.0 110.441 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.07 -35.46 66.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 109.226 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 58.5 tp -66.0 -53.11 42.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 109.388 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.419 ' SD ' ' CB ' ' A' ' 53' ' ' ALA . 66.9 mtm -63.87 -37.9 89.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 111.005 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -64.12 -40.71 98.34 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.519 1.137 . . . . 0.0 110.992 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 61.6 tp -68.28 -39.66 82.06 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 0.761 . . . . 0.0 109.179 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.06 -43.01 99.44 Favored Glycine 0 CA--C 1.528 0.879 0 O-C-N 124.542 1.151 . . . . 0.0 110.993 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.4 ' CG2' ' N ' ' A' ' 51' ' ' ALA . 55.9 m -67.66 -39.8 84.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.4 0.706 . . . . 0.0 110.408 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 61.4 tp -62.66 -46.21 89.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 109.312 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 91.4 t80 -63.02 -38.04 89.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 110.989 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.846 ' CD2' ' CG2' ' A' ' 47' ' ' THR . 88.7 t80 -66.04 -35.17 79.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.118 . . . . 0.0 110.977 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.847 ' CD2' ' CG2' ' A' ' 47' ' ' THR . 22.4 mt -72.35 -40.94 66.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 109.333 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 20.4 t -61.52 -46.41 96.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.449 1.093 . . . . 0.0 109.276 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.3 mmpp? -69.28 -33.33 73.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.341 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -61.02 -43.95 98.81 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.612 1.195 . . . . 0.0 110.986 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 73.8 mtm -79.54 -26.99 41.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 0.77 . . . . 0.0 110.916 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 89.4 49.84 3.35 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.501 1.126 . . . . 0.0 111.061 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 25.0 t . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.529 0.782 . . . . 0.0 109.302 -179.973 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo . . . . . 0 N--CA 1.453 -0.866 0 N-CA-C 111.023 -0.414 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -157.88 -50.7 0.07 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.668 1.23 . . . . 0.0 109.327 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.61 -56.12 13.92 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.634 1.209 . . . . 0.0 109.345 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 34.6 mmtm -66.9 -27.59 67.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.608 1.192 . . . . 0.0 109.288 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -64.03 -53.99 41.23 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.475 1.109 . . . . 0.0 109.347 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 81.6 t80 -60.0 -42.55 94.52 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.55 1.156 . . . . 0.0 110.968 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 87.2 t80 -60.83 -40.81 94.18 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.516 1.135 . . . . 0.0 110.922 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.67 -45.92 92.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.548 1.155 . . . . 0.0 109.27 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.4 mp -62.97 -38.63 82.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 O-C-N 124.558 1.161 . . . . 0.0 109.288 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 42.9 m -70.08 -19.39 63.27 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.417 1.073 . . . . 0.0 110.439 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.847 ' CG2' ' CD2' ' A' ' 28' ' ' LEU . 97.2 m -93.37 -17.06 23.97 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.57 1.169 . . . . 0.0 110.254 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -101.6 -5.86 24.55 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.536 1.148 . . . . 0.0 109.426 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.547 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 0.9 OUTLIER -64.4 -49.54 71.33 Favored Pre-proline 0 C--N 1.327 -0.41 0 O-C-N 124.469 1.106 . . . . 0.0 109.197 -179.814 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.547 ' CD ' ' N ' ' A' ' 49' ' ' VAL . 18.4 Cg_endo -75.06 -20.19 16.98 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.487 1.783 . . . . 0.0 111.016 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.4 ' N ' ' CG2' ' A' ' 24' ' ' THR . . . -73.38 -42.68 61.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.668 1.23 . . . . 0.0 109.26 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 52.5 mt -73.13 -37.97 53.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.333 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.419 ' CB ' ' SD ' ' A' ' 20' ' ' MET . . . -62.05 -43.57 98.55 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.496 1.122 . . . . 0.0 109.248 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.573 ' CD1' ' O ' ' A' ' 17' ' ' THR . 83.3 t80 -67.31 -41.24 85.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 111.028 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 52.8 m -60.08 -43.24 95.64 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.439 1.087 . . . . 0.0 110.378 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 83.6 mtp -68.64 -40.96 80.04 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.561 1.163 . . . . 0.0 111.087 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 1.195 ' OH ' ' C ' ' A' ' 14' ' ' ALA . 79.5 t80 -63.07 -31.38 72.5 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.571 1.169 . . . . 0.0 111.119 179.813 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.406 ' CD2' ' CG2' ' A' ' 17' ' ' THR . 0.1 OUTLIER -81.46 -36.04 29.83 Favored 'General case' 0 C--N 1.327 -0.394 0 O-C-N 124.444 1.09 . . . . 0.0 109.334 179.882 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 11.2 t -71.05 -10.12 59.22 Favored 'General case' 0 C--N 1.327 -0.39 0 O-C-N 124.518 1.136 . . . . 0.0 110.127 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.958 ' CE ' ' CD1' ' A' ' 13' ' ' LEU . 56.3 ttp -107.76 -44.72 4.17 Favored 'General case' 0 N--CA 1.453 -0.31 0 O-C-N 124.551 1.157 . . . . 0.0 110.85 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 1.049 ' CA ' ' CD2' ' A' ' 13' ' ' LEU . 56.1 tp -57.68 -60.0 4.34 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.494 1.121 . . . . 0.0 109.244 -179.809 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.665 ' CD2' ' NE2' ' A' ' 3' ' ' GLN . 0.7 OUTLIER -74.46 -38.19 63.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 89.21 88.81 1.22 Allowed Glycine 0 CA--C 1.531 1.082 0 O-C-N 124.591 1.182 . . . . 0.0 110.872 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -121.26 0.11 10.01 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.618 0.834 . . . . 0.0 111.099 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 177.2 -43.74 0.1 OUTLIER Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.467 1.105 . . . . 0.0 111.126 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 8.9 mp -62.82 -57.22 11.64 Favored 'General case' 0 N--CA 1.449 -0.49 0 O-C-N 124.453 0.737 . . . . 0.0 109.355 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 27.8 m -76.9 -44.09 33.19 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.56 1.162 . . . . 0.0 110.421 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 62.1 mtt -91.23 83.65 5.55 Favored 'General case' 0 C--N 1.328 -0.369 0 O-C-N 124.407 1.067 . . . . 0.0 110.993 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 8.5 m -83.92 152.55 62.68 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.47 1.106 . . . . 0.0 109.19 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo . . . . . 0 C--N 1.361 1.194 0 O-C-N 124.558 1.82 . . . . 0.0 111.064 -179.944 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.253 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -80.41 -43.27 21.28 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.552 1.157 . . . . 0.0 110.272 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 40.0 mm -92.38 130.31 41.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.244 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.7 t -136.21 22.66 3.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 110.473 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -68.99 -60.65 5.1 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.549 1.156 . . . . 0.0 110.975 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -99.82 144.18 27.86 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.493 0.761 . . . . 0.0 110.269 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_endo -72.54 -24.57 18.75 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.444 1.76 . . . . 0.0 111.041 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 51.3 mp0 -67.82 -35.34 78.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.24 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.626 ' NE1' ' O ' ' A' ' 61' ' ' LEU . 48.6 t90 -67.92 -38.9 83.46 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.467 1.104 . . . . 0.0 108.06 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 6.3 mm -67.46 -36.81 77.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 0.0 109.284 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 76.6 t-105 -67.44 -35.09 78.55 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.627 1.205 . . . . 0.0 107.977 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.724 ' CD2' ' CD1' ' A' ' 57' ' ' TYR . 1.3 tt -67.11 -47.7 70.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.339 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 1.286 ' C ' ' OH ' ' A' ' 57' ' ' TYR . . . -61.49 -38.18 86.36 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.359 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.866 ' N ' ' OH ' ' A' ' 57' ' ' TYR . 3.9 tt -65.0 -41.32 95.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.434 ' N ' ' OH ' ' A' ' 57' ' ' TYR . . . -64.17 -42.67 97.89 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.513 1.133 . . . . 0.0 110.995 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 1.126 ' N ' ' CZ ' ' A' ' 57' ' ' TYR . 30.2 m -66.01 -36.95 84.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 0.75 . . . . 0.0 110.457 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.65 -38.09 77.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.446 1.091 . . . . 0.0 109.338 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.5 tt -65.23 -43.88 90.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.345 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 1.397 ' CE ' ' CB ' ' A' ' 53' ' ' ALA . 77.9 mtp -64.14 -45.66 87.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.996 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -63.4 -35.75 92.47 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.532 1.145 . . . . 0.0 111.057 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.5 tt -65.09 -49.3 70.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.568 0.804 . . . . 0.0 109.286 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -61.47 -39.72 97.69 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.464 1.103 . . . . 0.0 110.99 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 1.347 ' OG1' ' CB ' ' A' ' 50' ' ' PRO . 88.9 m -66.66 -34.52 78.05 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.536 0.786 . . . . 0.0 110.469 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.1 tp -62.38 -53.79 49.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -61.45 -36.25 79.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 111.08 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.95 ' CZ ' ' C ' ' A' ' 46' ' ' THR . 90.6 t80 -63.84 -36.87 85.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 110.968 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.457 ' CD2' ' CG2' ' A' ' 47' ' ' THR . 23.0 mt -71.54 -40.33 70.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.598 1.186 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 39.3 t -64.32 -38.94 83.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.105 . . . . 0.0 109.375 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 55.7 mttm -73.66 -32.29 63.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.567 1.167 . . . . 0.0 109.335 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -65.26 -45.01 92.81 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.558 1.161 . . . . 0.0 111.023 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 72.7 mtm -78.45 -31.73 48.13 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.395 0.703 . . . . 0.0 111.073 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.453 ' O ' ' C ' ' A' ' 34' ' ' VAL . . . -70.59 -68.47 1.62 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.465 1.103 . . . . 0.0 110.98 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.453 ' C ' ' O ' ' A' ' 33' ' ' GLY . 2.7 p . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.425 0.721 . . . . 0.0 109.349 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.454 -0.839 0 N-CA-C 111.014 -0.418 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -71.2 -32.82 69.31 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.528 1.142 . . . . 0.0 109.27 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -72.1 -40.24 68.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.399 1.062 . . . . 0.0 109.243 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 55.1 mmtt -68.38 -36.33 79.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.631 1.207 . . . . 0.0 109.348 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -66.05 -50.41 64.25 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.667 1.229 . . . . 0.0 109.214 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -58.71 -43.1 90.02 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.563 1.164 . . . . 0.0 111.077 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.414 ' O ' ' CZ ' ' A' ' 27' ' ' PHE . 78.7 t80 -62.79 -39.95 95.84 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.44 1.087 . . . . 0.0 111.05 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.02 -45.8 93.33 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 0.0 109.277 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.4 mp -62.99 -39.52 85.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.6 1.188 . . . . 0.0 109.332 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.95 ' C ' ' CZ ' ' A' ' 27' ' ' PHE . 51.2 m -68.06 -25.56 65.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 110.372 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.457 ' CG2' ' CD2' ' A' ' 28' ' ' LEU . 55.3 m -92.94 -8.84 42.04 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 124.441 1.088 . . . . 0.0 110.508 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.9 tp -102.22 -7.16 22.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.409 1.068 . . . . 0.0 109.412 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.544 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 1.3 t -65.06 -50.18 63.03 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 109.184 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 1.347 ' CB ' ' OG1' ' A' ' 24' ' ' THR . 18.2 Cg_endo -74.97 -14.6 21.16 Favored 'Trans proline' 0 C--N 1.361 1.235 0 O-C-N 124.525 1.803 . . . . 0.0 110.957 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -73.5 -50.96 18.8 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.605 1.19 . . . . 0.0 109.247 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 37.6 pt -71.53 -30.72 40.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 1.397 ' CB ' ' CE ' ' A' ' 20' ' ' MET . . . -65.57 -45.72 82.23 Favored 'General case' 0 C--N 1.323 -0.577 0 O-C-N 124.619 1.199 . . . . 0.0 109.317 179.82 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.443 ' CD1' ' O ' ' A' ' 17' ' ' THR . 82.2 t80 -67.96 -37.58 81.73 Favored 'General case' 0 C--N 1.322 -0.611 0 O-C-N 124.55 1.156 . . . . 0.0 110.935 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 83.3 m -62.6 -43.68 98.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.402 1.064 . . . . 0.0 110.302 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 80.7 mtp -69.14 -41.23 77.58 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.449 1.093 . . . . 0.0 111.038 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 1.286 ' OH ' ' C ' ' A' ' 14' ' ' ALA . 81.1 t80 -64.99 -32.57 74.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.432 1.083 . . . . 0.0 110.961 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.6 tp -79.48 -35.3 40.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.429 1.081 . . . . 0.0 109.438 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 47.1 t -73.27 -9.17 58.42 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.65 1.219 . . . . 0.0 110.002 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.682 ' CE ' ' CD1' ' A' ' 13' ' ' LEU . 55.6 ttp -108.21 -41.21 4.96 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.517 1.135 . . . . 0.0 110.918 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.626 ' O ' ' NE1' ' A' ' 10' ' ' TRP . 14.2 tp -59.24 -65.37 0.68 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.0 mt -74.39 -33.95 63.17 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 124.348 1.03 . . . . 0.0 109.286 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 88.13 92.46 1.04 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.577 1.173 . . . . 0.0 111.043 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -142.67 19.38 2.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 0.779 . . . . 0.0 110.909 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 175.07 -52.63 0.13 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.435 1.084 . . . . 0.0 111.119 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -67.58 -42.88 81.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.645 0.85 . . . . 0.0 109.282 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 17.2 m -78.4 -44.64 24.35 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.46 1.1 . . . . 0.0 110.497 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 55.0 mtm -96.43 84.81 3.78 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.458 1.099 . . . . 0.0 110.98 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 6.3 m -86.31 152.55 55.46 Favored Pre-proline 0 C--N 1.327 -0.402 0 O-C-N 124.483 1.115 . . . . 0.0 109.268 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo . . . . . 0 C--N 1.361 1.195 0 O-C-N 124.358 1.715 . . . . 0.0 111.031 179.956 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 61.5 mm-40 -80.15 -44.14 20.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 110.298 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 40.7 mm -95.07 95.87 5.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.601 1.188 . . . . 0.0 109.428 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.6 t -151.77 62.47 0.86 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 110.381 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -60.8 -37.74 94.13 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.486 1.116 . . . . 0.0 111.014 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.69 126.89 24.63 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.435 0.726 . . . . 0.0 110.325 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -79.25 -9.35 15.17 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.464 1.771 . . . . 0.0 110.962 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -68.98 -40.61 78.71 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.564 1.165 . . . . 0.0 110.362 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.525 ' CE2' ' CD1' ' A' ' 61' ' ' LEU . 85.9 t90 -71.67 -32.74 68.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 107.992 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 8.5 mm -69.09 -36.78 75.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.566 1.166 . . . . 0.0 109.333 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 75.3 t-105 -69.64 -35.35 75.13 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.866 ' CD2' ' CD1' ' A' ' 57' ' ' TYR . 1.3 tt -66.49 -47.26 73.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.554 1.159 . . . . 0.0 109.29 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.523 ' O ' ' CE2' ' A' ' 57' ' ' TYR . . . -61.82 -39.0 90.23 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.405 1.066 . . . . 0.0 109.325 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.9 tt -64.55 -40.96 96.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.242 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.19 -42.18 98.05 Favored Glycine 0 CA--C 1.532 1.097 0 O-C-N 124.524 1.14 . . . . 0.0 110.951 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.952 ' O ' ' CD1' ' A' ' 54' ' ' PHE . 33.4 m -66.95 -36.87 83.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.58 0.812 . . . . 0.0 110.392 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.28 -37.64 77.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 11.8 tp -65.47 -46.0 81.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 1.463 ' CE ' ' CB ' ' A' ' 53' ' ' ALA . 78.7 mtp -63.47 -42.2 98.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.401 1.063 . . . . 0.0 110.939 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.478 ' CA ' ' CD1' ' A' ' 54' ' ' PHE . . . -63.95 -39.68 97.54 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.477 1.111 . . . . 0.0 111.037 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.7 tt -67.75 -39.32 84.19 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.457 0.739 . . . . 0.0 109.346 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.4 -42.54 97.6 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.397 1.061 . . . . 0.0 110.965 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 1.098 ' OG1' ' CB ' ' A' ' 50' ' ' PRO . 43.5 m -66.55 -39.99 88.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 0.771 . . . . 0.0 110.37 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 56.5 tp -63.63 -46.26 86.5 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 72.9 t80 -63.02 -37.01 85.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 111.028 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.94 ' CD2' ' CG2' ' A' ' 47' ' ' THR . 86.0 t80 -66.45 -36.61 83.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 111.067 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.688 ' CD2' ' CG2' ' A' ' 47' ' ' THR . 20.6 mt -70.41 -42.68 71.32 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.564 1.165 . . . . 0.0 109.347 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 39.1 t -66.55 -34.7 71.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 0.0 109.327 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 27.3 ttpp -71.35 -37.22 71.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -64.9 -49.67 61.94 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.478 1.111 . . . . 0.0 110.985 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 67.0 mtm -68.97 -35.57 76.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 0.752 . . . . 0.0 110.97 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.464 ' O ' ' CG1' ' A' ' 34' ' ' VAL . . . -65.57 -40.18 95.91 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.422 1.076 . . . . 0.0 111.047 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.464 ' CG1' ' O ' ' A' ' 33' ' ' GLY . 1.4 p . . . . . 0 C--N 1.326 -0.42 0 O-C-N 124.408 0.71 . . . . 0.0 109.281 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.87 0 N-CA-C 110.977 -0.432 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -157.76 -50.96 0.07 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.434 1.084 . . . . 0.0 109.389 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.22 -54.89 22.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 109.451 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 24.7 mtpp -67.72 -28.26 67.5 Favored 'General case' 0 C--N 1.328 -0.342 0 O-C-N 124.54 1.15 . . . . 0.0 109.249 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -64.94 -48.91 72.41 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.563 1.164 . . . . 0.0 109.118 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 83.1 t80 -63.39 -43.74 96.71 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 124.565 1.166 . . . . 0.0 110.995 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 86.9 t80 -61.04 -41.31 96.34 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.39 1.056 . . . . 0.0 110.933 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.53 -44.92 96.19 Favored 'General case' 0 C--N 1.323 -0.587 0 O-C-N 124.564 1.165 . . . . 0.0 109.298 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 45.4 mt -63.48 -39.25 84.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.403 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.438 ' C ' ' CZ ' ' A' ' 27' ' ' PHE . 45.5 m -70.47 -18.55 62.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.411 1.069 . . . . 0.0 110.414 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.94 ' CG2' ' CD2' ' A' ' 27' ' ' PHE . 97.4 m -93.96 -17.31 23.08 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.563 1.164 . . . . 0.0 110.48 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -101.73 -7.03 22.96 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.517 1.136 . . . . 0.0 109.29 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.545 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 0.9 OUTLIER -63.58 -49.93 75.05 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.588 1.18 . . . . 0.0 109.35 179.931 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 1.098 ' CB ' ' OG1' ' A' ' 24' ' ' THR . 18.4 Cg_endo -74.92 -22.59 14.83 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.523 1.802 . . . . 0.0 111.109 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.411 ' N ' ' CG2' ' A' ' 24' ' ' THR . . . -70.37 -45.22 66.48 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.553 1.158 . . . . 0.0 109.274 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 6.5 mm -69.74 -38.91 77.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.69 1.244 . . . . 0.0 109.326 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 1.463 ' CB ' ' CE ' ' A' ' 20' ' ' MET . . . -60.15 -41.09 92.02 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.491 1.119 . . . . 0.0 109.207 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.952 ' CD1' ' O ' ' A' ' 17' ' ' THR . 38.2 t80 -66.84 -38.29 86.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.355 1.034 . . . . 0.0 110.946 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 47.2 m -65.25 -41.14 94.62 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.372 1.045 . . . . 0.0 110.305 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 53.2 mtm -69.26 -37.32 77.87 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.515 1.134 . . . . 0.0 110.996 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.882 ' CZ ' ' N ' ' A' ' 17' ' ' THR . 38.0 t80 -62.21 -35.17 78.06 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.467 1.104 . . . . 0.0 110.902 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.428 ' CG ' ' CG2' ' A' ' 17' ' ' THR . 43.5 mt -80.81 -34.73 33.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.558 1.161 . . . . 0.0 109.251 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 44.3 t -65.56 -17.02 64.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 0.0 109.895 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 20.1 ttm -104.9 -46.75 4.21 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 124.552 1.158 . . . . 0.0 111.003 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.525 ' CD1' ' CE2' ' A' ' 10' ' ' TRP . 46.7 tp -55.32 -62.51 1.63 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.645 1.215 . . . . 0.0 109.424 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 10.8 mt -71.77 -34.14 69.19 Favored 'General case' 0 C--N 1.328 -0.356 0 O-C-N 124.451 1.094 . . . . 0.0 109.319 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 75.75 78.57 0.66 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.565 1.165 . . . . 0.0 111.008 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -142.89 22.36 1.94 Allowed 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.552 0.795 . . . . 0.0 110.962 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -172.47 -53.99 0.04 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.672 1.233 . . . . 0.0 111.021 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -73.66 -35.33 65.22 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.466 0.745 . . . . 0.0 109.338 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 57.4 m -82.06 -36.98 27.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.402 1.063 . . . . 0.0 110.342 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 59.0 mtt -83.9 82.33 8.39 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.495 1.122 . . . . 0.0 110.92 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 23.7 m -133.09 153.4 80.84 Favored Pre-proline 0 C--N 1.328 -0.344 0 O-C-N 124.339 1.024 . . . . 0.0 109.256 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo . . . . . 0 C--N 1.359 1.079 0 O-C-N 124.54 1.811 . . . . 0.0 110.924 -179.979 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 3.4 tp60 -150.88 150.61 31.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 110.331 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 37.0 mm -84.77 77.98 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.43 1.082 . . . . 0.0 109.292 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.8 t -90.7 -13.43 34.15 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.482 1.114 . . . . 0.0 110.376 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -67.85 -36.55 87.05 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.557 1.16 . . . . 0.0 111.008 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.4 tpt85 -97.1 108.87 46.56 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.497 0.763 . . . . 0.0 110.225 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo -66.05 -27.9 49.6 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.552 1.817 . . . . 0.0 110.995 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -66.24 -36.64 83.53 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.464 1.102 . . . . 0.0 110.27 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.512 ' CD1' ' CD1' ' A' ' 61' ' ' LEU . 75.0 t90 -69.32 -36.47 77.0 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.072 -1.084 . . . . 0.0 108.072 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 7.4 mm -69.0 -35.51 69.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.612 1.195 . . . . 0.0 109.266 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 63.7 t90 -68.74 -36.59 78.57 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 1.258 ' CD2' ' CE1' ' A' ' 57' ' ' TYR . 1.1 tt -67.97 -46.07 72.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.267 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.73 -39.35 91.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.417 1.073 . . . . 0.0 109.316 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 60.0 tp -65.37 -41.09 94.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.604 1.19 . . . . 0.0 109.316 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.04 -41.91 98.37 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.488 1.118 . . . . 0.0 110.921 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.504 ' O ' ' CD1' ' A' ' 54' ' ' PHE . 34.7 m -67.0 -36.82 83.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.581 0.812 . . . . 0.0 110.376 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.64 -37.19 76.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.42 1.075 . . . . 0.0 109.21 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.4 tt -65.69 -45.92 81.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.323 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.5 ' O ' ' CB ' ' A' ' 50' ' ' PRO . 78.5 mtp -63.77 -42.65 97.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 111.022 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -63.73 -39.37 97.41 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.46 1.1 . . . . 0.0 111.021 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 61.6 tp -66.98 -40.74 87.49 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.417 0.716 . . . . 0.0 109.288 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.35 -42.7 99.09 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.483 1.115 . . . . 0.0 110.97 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.967 ' CA ' ' CG ' ' A' ' 50' ' ' PRO . 37.9 m -66.72 -40.25 88.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 0.748 . . . . 0.0 110.4 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 59.5 tp -63.25 -45.62 90.67 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.467 1.105 . . . . 0.0 109.284 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 73.7 t80 -62.51 -37.55 86.46 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.527 1.142 . . . . 0.0 111.07 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.484 ' CD2' ' O ' ' A' ' 47' ' ' THR . 88.8 t80 -67.99 -34.65 76.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 111.005 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 23.2 mt -72.03 -39.23 69.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.429 1.081 . . . . 0.0 109.387 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 19.5 t -63.7 -42.22 95.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 109.309 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 40.6 mmtm -74.47 -29.71 61.56 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.562 1.163 . . . . 0.0 109.342 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -65.41 -43.31 95.13 Favored Glycine 0 CA--C 1.531 1.081 0 O-C-N 124.538 1.149 . . . . 0.0 110.994 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 72.2 mtm -80.94 -33.9 33.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.602 0.825 . . . . 0.0 110.999 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.464 ' O ' ' C ' ' A' ' 34' ' ' VAL . . . -70.44 -68.01 1.75 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.507 1.13 . . . . 0.0 110.959 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.464 ' C ' ' O ' ' A' ' 33' ' ' GLY . 2.7 p . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.477 0.751 . . . . 0.0 109.348 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.455 -0.782 0 N-CA-C 110.923 -0.453 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 40.9 m-20 -72.58 -33.17 66.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.363 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.76 -39.91 72.98 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.481 1.113 . . . . 0.0 109.332 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 57.0 mtmt -70.13 -36.07 74.54 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.398 1.061 . . . . 0.0 109.376 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -66.68 -45.5 78.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.415 1.072 . . . . 0.0 109.39 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 80.6 t80 -63.45 -40.21 96.53 Favored 'General case' 0 N--CA 1.449 -0.48 0 O-C-N 124.375 1.047 . . . . 0.0 111.035 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 86.2 t80 -66.84 -38.4 86.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.326 1.016 . . . . 0.0 110.824 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.71 -46.52 85.08 Favored 'General case' 0 C--N 1.322 -0.596 0 O-C-N 124.439 1.087 . . . . 0.0 109.307 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 51.3 mt -62.77 -41.92 94.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 O-C-N 124.394 1.059 . . . . 0.0 109.381 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.416 ' C ' ' CZ ' ' A' ' 27' ' ' PHE . 98.9 m -63.83 -27.82 69.43 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.551 1.157 . . . . 0.0 110.454 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.484 ' O ' ' CD2' ' A' ' 27' ' ' PHE . 90.7 m -87.05 -18.96 29.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.362 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 6.1 mp -103.09 13.28 34.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.562 1.164 . . . . 0.0 109.304 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.566 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 1.0 OUTLIER -60.18 -49.03 92.72 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.396 1.06 . . . . 0.0 109.364 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.967 ' CG ' ' CA ' ' A' ' 24' ' ' THR . 18.9 Cg_endo -75.04 -24.15 13.03 Favored 'Trans proline' 0 C--N 1.361 1.223 0 O-C-N 124.456 1.766 . . . . 0.0 111.089 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.79 ' N ' ' CG2' ' A' ' 24' ' ' THR . . . -70.2 -40.16 74.75 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.583 1.177 . . . . 0.0 109.265 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 47.5 mt -74.21 -39.62 49.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 O-C-N 124.686 1.241 . . . . 0.0 109.247 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.421 ' O ' ' CE ' ' A' ' 20' ' ' MET . . . -61.12 -42.63 98.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.563 1.165 . . . . 0.0 109.3 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.504 ' CD1' ' O ' ' A' ' 17' ' ' THR . 87.5 t80 -67.32 -41.52 85.16 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.425 1.078 . . . . 0.0 111.16 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 53.2 m -60.13 -41.75 93.34 Favored 'General case' 0 N--CA 1.45 -0.43 0 O-C-N 124.353 1.033 . . . . 0.0 110.543 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 83.7 mtp -69.73 -39.31 76.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 110.908 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 1.258 ' CE1' ' CD2' ' A' ' 13' ' ' LEU . 77.2 t80 -65.75 -31.48 72.49 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.593 1.183 . . . . 0.0 111.055 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -81.82 -33.61 30.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 34.0 t -72.89 -11.83 60.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.963 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 50.1 ttm -106.23 -45.82 4.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.667 1.229 . . . . 0.0 111.071 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.512 ' CD1' ' CD1' ' A' ' 10' ' ' TRP . 22.1 tp -57.55 -60.77 3.16 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.428 1.08 . . . . 0.0 109.283 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.71 -46.91 34.48 Favored 'General case' 0 C--N 1.322 -0.625 0 O-C-N 124.59 1.181 . . . . 0.0 109.371 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 100.41 89.11 2.02 Favored Glycine 0 CA--C 1.531 1.079 0 O-C-N 124.438 1.086 . . . . 0.0 110.969 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -140.89 17.39 2.31 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.599 0.823 . . . . 0.0 111.096 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 177.71 -48.69 0.1 OUTLIER Glycine 0 CA--C 1.533 1.173 0 O-C-N 124.493 1.12 . . . . 0.0 111.071 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -74.66 -72.85 0.26 Allowed 'General case' 0 C--N 1.323 -0.58 0 O-C-N 124.628 0.84 . . . . 0.0 109.252 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 23.9 m -63.16 -47.51 82.36 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.343 1.027 . . . . 0.0 110.404 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 63.3 mtt -106.91 97.9 7.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.975 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 12.9 m -74.46 152.12 87.6 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.158 . . . . 0.0 109.127 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.357 1.002 0 O-C-N 124.759 1.926 . . . . 0.0 111.064 179.964 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -134.34 75.32 1.58 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.237 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 36.5 mm -89.61 93.41 4.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.424 1.077 . . . . 0.0 109.291 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.8 t -85.8 -12.96 49.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 110.415 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -72.46 -105.63 0.06 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.642 1.214 . . . . 0.0 110.958 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 35.9 ptt-85 -63.37 155.92 72.4 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.515 0.774 . . . . 0.0 110.215 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -101.7 8.43 0.5 Allowed 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.557 1.82 . . . . 0.0 111.039 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -71.36 -43.18 67.4 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.44 1.087 . . . . 0.0 110.317 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 1.355 ' CE2' ' CD1' ' A' ' 61' ' ' LEU . 79.4 t90 -70.04 -31.56 69.26 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 8.3 mm -70.24 -38.2 73.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 109.314 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 64.3 t90 -68.41 -35.86 78.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 108.06 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 1.462 ' CD1' ' CE ' ' A' ' 60' ' ' MET . 1.2 tt -67.16 -46.45 73.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.86 -39.01 90.42 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.454 1.096 . . . . 0.0 109.296 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.7 tt -65.41 -40.33 93.24 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.407 1.067 . . . . 0.0 109.294 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.6 -41.83 97.64 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.529 1.143 . . . . 0.0 110.943 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.516 ' N ' ' CZ ' ' A' ' 57' ' ' TYR . 33.0 m -67.34 -36.82 82.21 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.466 0.745 . . . . 0.0 110.41 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.38 -37.64 77.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 59.8 tp -65.61 -46.46 79.23 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.486 1.116 . . . . 0.0 109.275 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 78.0 mtp -62.57 -43.38 98.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 111.013 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.21 -43.4 99.16 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.519 1.137 . . . . 0.0 111.012 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.5 tt -63.39 -42.51 98.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 0.769 . . . . 0.0 109.309 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.93 -43.93 97.63 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.581 1.176 . . . . 0.0 111.039 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 1.44 ' OG1' ' CB ' ' A' ' 50' ' ' PRO . 33.9 m -64.46 -38.06 89.7 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.614 0.832 . . . . 0.0 110.393 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.1 tt -63.22 -45.11 93.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.564 1.165 . . . . 0.0 109.369 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -64.27 -38.57 91.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 111.04 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.628 ' CZ ' ' C ' ' A' ' 46' ' ' THR . 88.3 t80 -64.6 -36.78 85.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 110.985 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 20.6 mt -68.98 -40.31 78.89 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.473 1.108 . . . . 0.0 109.344 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 24.3 t -63.34 -38.86 83.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 45.2 mttm -70.13 -37.81 75.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 1.239 ' CA ' ' OH ' ' A' ' 43' ' ' TYR . . . -61.95 -46.41 94.15 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.423 1.077 . . . . 0.0 110.998 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 70.8 mtm -74.91 -28.75 60.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 0.757 . . . . 0.0 111.007 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 86.99 68.32 1.33 Allowed Glycine 0 CA--C 1.531 1.086 0 O-C-N 124.536 1.148 . . . . 0.0 110.873 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 40.2 t . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.469 0.747 . . . . 0.0 109.27 179.924 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.946 0 N-CA-C 110.974 -0.433 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -81.16 -19.96 42.31 Favored 'General case' 0 C--N 1.323 -0.573 0 O-C-N 124.443 1.09 . . . . 0.0 109.219 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -67.51 -35.88 79.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.24 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 27.9 mtmm -70.91 -36.72 72.81 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 124.223 0.952 . . . . 0.0 109.352 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -67.27 -44.66 78.8 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.601 1.188 . . . . 0.0 109.334 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -62.75 -43.7 98.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.115 . . . . 0.0 111.081 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 1.239 ' OH ' ' CA ' ' A' ' 31' ' ' GLY . 81.0 t80 -63.55 -39.94 95.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 111.036 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.2 -44.89 95.57 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.591 1.182 . . . . 0.0 109.254 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 44.4 mt -62.45 -43.06 97.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.411 1.069 . . . . 0.0 109.233 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.628 ' C ' ' CZ ' ' A' ' 27' ' ' PHE . 50.4 m -65.88 -24.7 66.92 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 0.0 110.469 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 96.2 m -87.93 -16.74 33.0 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.51 1.131 . . . . 0.0 110.473 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 5.2 mp -102.92 5.29 38.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.67 1.231 . . . . 0.0 109.336 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.559 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 1.1 t -61.25 -49.44 88.08 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.326 1.017 . . . . 0.0 109.375 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 1.44 ' CB ' ' OG1' ' A' ' 24' ' ' THR . 18.6 Cg_endo -74.8 -23.35 14.34 Favored 'Trans proline' 0 C--N 1.358 1.048 0 O-C-N 124.575 1.829 . . . . 0.0 111.157 179.757 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.482 ' N ' ' CG2' ' A' ' 24' ' ' THR . . . -70.61 -41.52 72.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 6.2 mm -73.49 -40.62 55.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.562 1.163 . . . . 0.0 109.248 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.13 -41.94 93.72 Favored 'General case' 0 C--N 1.327 -0.384 0 O-C-N 124.575 1.172 . . . . 0.0 109.29 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.404 ' CD1' ' O ' ' A' ' 17' ' ' THR . 76.5 t80 -68.06 -40.15 82.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.444 1.09 . . . . 0.0 110.95 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 53.7 m -61.65 -42.42 98.88 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.509 1.131 . . . . 0.0 110.43 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -67.34 -44.35 79.3 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.553 1.158 . . . . 0.0 111.057 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 1.418 ' CE1' ' CD2' ' A' ' 13' ' ' LEU . 86.1 t80 -66.33 -29.64 69.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.589 1.18 . . . . 0.0 111.068 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 13.2 tp -78.3 -33.65 49.26 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 124.432 1.082 . . . . 0.0 109.195 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 46.9 t -70.03 -15.3 62.99 Favored 'General case' 0 C--N 1.328 -0.357 0 O-C-N 124.488 1.117 . . . . 0.0 109.992 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 1.462 ' CE ' ' CD1' ' A' ' 13' ' ' LEU . 57.7 ttp -101.94 -55.37 2.51 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.453 1.096 . . . . 0.0 110.998 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 1.355 ' CD1' ' CE2' ' A' ' 10' ' ' TRP . 0.2 OUTLIER -56.89 -61.7 2.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.088 . . . . 0.0 109.437 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.02 -40.38 87.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.114 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 85.49 86.79 0.97 Allowed Glycine 0 CA--C 1.532 1.101 0 O-C-N 124.694 1.247 . . . . 0.0 110.903 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -129.52 6.78 5.25 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.563 0.802 . . . . 0.0 111.074 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 177.1 -50.46 0.1 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.354 1.034 . . . . 0.0 110.966 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 5.2 mp -61.86 -48.15 81.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 0.766 . . . . 0.0 109.322 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 18.1 m -80.61 -38.63 28.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.579 1.174 . . . . 0.0 110.519 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 27.8 mtm -96.75 67.57 2.34 Favored 'General case' 0 C--N 1.327 -0.371 0 O-C-N 124.419 1.074 . . . . 0.0 110.926 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.559 ' N ' ' CD ' ' A' ' 70' ' ' PRO . 1.7 t -60.58 -49.56 89.39 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.559 ' CD ' ' N ' ' A' ' 69' ' ' VAL . 19.0 Cg_endo . . . . . 0 C--N 1.359 1.098 0 O-C-N 124.517 1.798 . . . . 0.0 111.104 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 60.8 tp60 -63.79 -44.29 93.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 110.295 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 40.1 mm -90.35 91.04 3.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 O-C-N 124.471 1.107 . . . . 0.0 109.276 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.2 t -141.13 27.69 1.93 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 110.452 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -73.36 158.11 52.47 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.497 1.123 . . . . 0.0 110.963 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 66.8 mmt-85 64.1 156.16 0.12 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.511 0.771 . . . . 0.0 110.304 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -82.63 -7.72 11.51 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.507 1.793 . . . . 0.0 111.099 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -70.2 -36.36 74.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.355 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 68.6 t90 -72.06 -33.64 68.1 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.526 1.141 . . . . 0.0 108.038 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 8.4 mm -70.47 -38.07 72.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 73.7 t-105 -69.43 -36.58 76.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.605 1.19 . . . . 0.0 107.991 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 1.254 ' CD2' ' CB ' ' A' ' 61' ' ' LEU . 3.6 tt -66.57 -43.63 84.44 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.525 1.14 . . . . 0.0 109.328 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.56 -38.54 91.38 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.575 1.172 . . . . 0.0 109.248 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.8 tt -65.22 -40.41 94.08 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.548 1.155 . . . . 0.0 109.362 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.04 -42.24 96.8 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.49 1.119 . . . . 0.0 111.006 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.502 ' N ' ' CZ ' ' A' ' 57' ' ' TYR . 44.1 m -66.41 -36.97 84.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 0.78 . . . . 0.0 110.436 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.67 -37.42 76.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 109.302 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.5 tt -65.59 -45.64 82.46 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.458 1.099 . . . . 0.0 109.33 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.505 ' O ' ' CB ' ' A' ' 50' ' ' PRO . 78.5 mtp -63.99 -42.13 97.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 110.921 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -64.27 -39.5 97.09 Favored Glycine 0 CA--C 1.529 0.91 0 O-C-N 124.523 1.139 . . . . 0.0 111.049 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 31.6 tp -66.74 -41.1 88.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.459 0.74 . . . . 0.0 109.347 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.28 -43.97 97.66 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.545 1.153 . . . . 0.0 111.03 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.997 ' CA ' ' CG ' ' A' ' 50' ' ' PRO . 58.4 m -65.84 -38.31 88.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.444 0.732 . . . . 0.0 110.36 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 59.6 tp -63.91 -48.34 77.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.592 1.183 . . . . 0.0 109.272 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 35.7 t80 -62.0 -34.92 77.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 111.062 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.598 ' CZ ' ' C ' ' A' ' 46' ' ' THR . 89.1 t80 -67.35 -35.41 79.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.441 1.088 . . . . 0.0 110.99 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 21.0 mt -74.36 -33.08 62.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 109.295 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 11.0 t -61.58 -53.67 45.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.609 1.193 . . . . 0.0 109.296 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.5 ptpp? -71.75 -24.23 61.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.331 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.414 ' CA ' ' OH ' ' A' ' 43' ' ' TYR . . . -65.04 -43.83 95.23 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.405 1.065 . . . . 0.0 110.955 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 72.1 mtm -82.55 -34.14 27.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 0.737 . . . . 0.0 111.049 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.481 ' O ' ' C ' ' A' ' 34' ' ' VAL . . . -68.9 -67.62 1.89 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.538 1.149 . . . . 0.0 111.015 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.481 ' C ' ' O ' ' A' ' 33' ' ' GLY . 2.9 p . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.498 0.763 . . . . 0.0 109.354 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo . . . . . 0 N--CA 1.452 -0.92 0 N-CA-C 110.954 -0.441 . . . . 0.0 110.954 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -73.31 -22.48 60.33 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.423 1.077 . . . . 0.0 109.335 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -89.82 -25.37 21.09 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.651 1.22 . . . . 0.0 109.278 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 54.1 mttp -74.06 -47.3 37.64 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.557 1.16 . . . . 0.0 109.222 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 16.5 pttp -63.84 -36.27 83.38 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.329 1.018 . . . . 0.0 109.357 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 81.7 t80 -65.99 -46.83 76.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.562 1.164 . . . . 0.0 110.888 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.414 ' OH ' ' CA ' ' A' ' 31' ' ' GLY . 83.2 t80 -63.84 -34.98 79.14 Favored 'General case' 0 N--CA 1.449 -0.497 0 O-C-N 124.296 0.997 . . . . 0.0 110.995 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.06 -49.01 76.24 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.412 1.07 . . . . 0.0 109.445 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.4 mp -61.62 -41.36 89.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.421 1.075 . . . . 0.0 109.409 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.598 ' C ' ' CZ ' ' A' ' 27' ' ' PHE . 60.7 m -64.41 -28.2 69.52 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.616 1.198 . . . . 0.0 110.414 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.511 ' O ' ' CD2' ' A' ' 27' ' ' PHE . 93.9 m -87.41 -16.97 33.37 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.448 1.093 . . . . 0.0 110.468 179.82 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 21.2 mt -104.5 13.12 32.36 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.3 1.0 . . . . 0.0 109.202 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.56 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 1.0 OUTLIER -60.35 -49.07 92.09 Favored Pre-proline 0 N--CA 1.451 -0.405 0 O-C-N 124.339 1.024 . . . . 0.0 109.249 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.997 ' CG ' ' CA ' ' A' ' 24' ' ' THR . 17.8 Cg_endo -75.19 -24.09 12.86 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.415 1.745 . . . . 0.0 110.817 -179.757 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.731 ' N ' ' CG2' ' A' ' 24' ' ' THR . . . -70.72 -40.11 73.01 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.348 1.03 . . . . 0.0 109.405 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 45.9 mt -73.41 -40.26 56.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.438 1.086 . . . . 0.0 109.342 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.43 ' O ' ' CE ' ' A' ' 20' ' ' MET . . . -61.61 -40.95 96.67 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.637 1.211 . . . . 0.0 109.392 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -68.42 -38.5 81.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 111.061 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 41.7 m -60.81 -43.49 98.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 110.252 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 62.2 mtm -68.87 -41.94 77.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.415 1.072 . . . . 0.0 110.873 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.722 ' CE1' ' CG ' ' A' ' 13' ' ' LEU . 85.6 t80 -66.02 -29.5 69.88 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 124.426 1.079 . . . . 0.0 111.078 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 9.8 tp -82.85 -31.36 28.07 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.673 1.233 . . . . 0.0 109.347 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 40.6 t -73.45 -13.14 61.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.564 1.165 . . . . 0.0 109.959 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 36.6 ttm -107.52 -56.25 2.24 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.59 1.181 . . . . 0.0 110.901 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 1.254 ' CB ' ' CD2' ' A' ' 13' ' ' LEU . 6.9 tp -55.78 -61.53 2.3 Favored 'General case' 0 C--N 1.321 -0.643 0 O-C-N 124.288 0.993 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.17 -35.64 74.14 Favored 'General case' 0 C--N 1.323 -0.585 0 O-C-N 124.63 1.206 . . . . 0.0 109.331 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 82.36 95.21 0.52 Allowed Glycine 0 CA--C 1.528 0.892 0 O-C-N 124.52 1.137 . . . . 0.0 111.012 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -149.7 23.43 0.89 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.436 0.727 . . . . 0.0 110.836 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 174.84 -51.18 0.13 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.31 1.006 . . . . 0.0 110.974 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 11.3 mt -76.07 -57.11 4.07 Favored 'General case' 0 C--N 1.322 -0.602 0 O-C-N 124.603 0.825 . . . . 0.0 109.244 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 6.2 m -67.45 -27.25 66.88 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.358 1.036 . . . . 0.0 110.459 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 16.2 mmt -58.62 -40.59 83.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.42 1.075 . . . . 0.0 110.943 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 5.5 m -101.46 153.22 37.99 Favored Pre-proline 0 C--N 1.324 -0.541 0 O-C-N 124.378 1.049 . . . . 0.0 109.338 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo . . . . . 0 C--N 1.361 1.187 0 O-C-N 124.356 1.713 . . . . 0.0 111.071 179.987 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -136.86 151.07 48.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.562 1.164 . . . . 0.0 110.284 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 35.5 mm -92.86 79.94 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.529 1.143 . . . . 0.0 109.331 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.8 t -88.25 -3.84 58.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 110.42 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -66.53 -36.48 91.5 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.497 1.123 . . . . 0.0 111.025 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 64.1 mmt-85 -101.48 131.95 22.39 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.463 0.743 . . . . 0.0 110.256 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -74.02 -21.46 18.23 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.417 1.746 . . . . 0.0 110.943 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -71.54 -33.25 68.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.437 1.086 . . . . 0.0 110.278 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.691 ' O ' ' CD1' ' A' ' 61' ' ' LEU . 69.8 t90 -71.89 -35.46 69.74 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.572 1.17 . . . . 0.0 107.983 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 7.1 mm -70.49 -38.23 72.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.57 1.169 . . . . 0.0 109.295 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 73.5 t-105 -68.28 -36.91 80.11 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.562 ' CB ' ' CD1' ' A' ' 61' ' ' LEU . 3.7 tt -66.63 -43.97 83.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 1.055 ' C ' ' OH ' ' A' ' 57' ' ' TYR . . . -63.99 -38.19 90.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.095 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.748 ' N ' ' OH ' ' A' ' 57' ' ' TYR . 3.8 tt -65.68 -40.29 92.2 Favored 'General case' 0 C--N 1.327 -0.373 0 O-C-N 124.547 1.155 . . . . 0.0 109.322 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.85 -40.57 95.59 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.484 1.115 . . . . 0.0 111.015 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 1.036 ' N ' ' CZ ' ' A' ' 57' ' ' TYR . 43.6 m -68.01 -35.13 77.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 0.787 . . . . 0.0 110.374 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.29 -35.12 66.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.411 1.069 . . . . 0.0 109.268 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 58.2 tp -66.25 -53.13 40.58 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 67.3 mtm -64.11 -37.95 89.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 110.96 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -63.83 -41.57 98.77 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.484 1.115 . . . . 0.0 110.97 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 63.4 tp -67.84 -39.36 83.86 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.495 0.762 . . . . 0.0 109.254 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -62.92 -42.93 99.58 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.543 1.152 . . . . 0.0 110.976 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 56.1 m -67.83 -38.88 83.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 0.749 . . . . 0.0 110.412 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 16.0 tp -63.38 -45.62 90.27 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.556 1.16 . . . . 0.0 109.27 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 65.3 t80 -64.1 -37.82 88.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 111.029 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.426 ' CZ ' ' N ' ' A' ' 47' ' ' THR . 92.8 t80 -65.01 -38.34 90.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.985 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.701 ' CD2' ' CG2' ' A' ' 47' ' ' THR . 21.1 mt -67.98 -43.98 77.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.438 1.087 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 38.0 t -64.21 -35.32 73.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.268 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.5 ttmm -66.89 -41.86 86.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.29 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 1.373 ' CA ' ' OH ' ' A' ' 43' ' ' TYR . . . -64.76 -42.17 97.25 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.379 1.049 . . . . 0.0 110.998 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -70.37 -33.23 71.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 0.75 . . . . 0.0 111.03 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.446 ' O ' ' C ' ' A' ' 34' ' ' VAL . . . -74.26 -33.82 55.98 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.478 1.111 . . . . 0.0 110.95 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.446 ' C ' ' O ' ' A' ' 33' ' ' GLY . 7.1 p . . . . . 0 C--N 1.324 -0.535 0 O-C-N 124.582 0.813 . . . . 0.0 109.253 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.455 -0.736 0 N-CA-C 111.032 -0.411 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -163.03 -48.04 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.605 1.19 . . . . 0.0 109.464 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.52 -38.65 85.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.654 1.221 . . . . 0.0 109.433 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 39.2 mmtm -70.4 -35.6 73.56 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.497 1.123 . . . . 0.0 109.426 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 53.2 mtpt -65.38 -44.18 88.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 109.357 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 84.0 t80 -64.48 -42.5 95.84 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 124.58 1.175 . . . . 0.0 111.088 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 1.373 ' OH ' ' CA ' ' A' ' 31' ' ' GLY . 85.4 t80 -64.16 -40.76 96.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.576 1.173 . . . . 0.0 110.961 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.27 -45.85 91.44 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.461 1.101 . . . . 0.0 109.399 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 50.2 mt -63.26 -37.51 79.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.394 1.059 . . . . 0.0 109.331 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.411 ' C ' ' CZ ' ' A' ' 27' ' ' PHE . 97.7 m -70.27 -21.53 62.96 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.621 1.2 . . . . 0.0 110.448 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.701 ' CG2' ' CD2' ' A' ' 28' ' ' LEU . 87.6 m -91.48 -16.82 26.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.632 1.207 . . . . 0.0 110.453 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -101.96 -4.14 26.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.623 1.202 . . . . 0.0 109.453 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.551 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 0.9 OUTLIER -64.7 -49.52 69.35 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.616 1.198 . . . . 0.0 109.316 -179.925 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.551 ' CD ' ' N ' ' A' ' 49' ' ' VAL . 18.1 Cg_endo -75.11 -18.17 18.71 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.552 1.817 . . . . 0.0 110.964 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -72.97 -46.39 52.57 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 124.546 1.153 . . . . 0.0 109.248 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.5 mp -72.12 -36.84 57.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.384 1.052 . . . . 0.0 109.246 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.12 -44.53 96.44 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.397 1.06 . . . . 0.0 109.286 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.685 ' CD1' ' O ' ' A' ' 17' ' ' THR . 88.7 t80 -66.73 -39.48 87.98 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.441 1.088 . . . . 0.0 110.992 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 73.9 m -62.34 -41.49 98.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.417 1.073 . . . . 0.0 110.509 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -69.85 -38.73 76.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.595 1.184 . . . . 0.0 111.045 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 1.055 ' OH ' ' C ' ' A' ' 14' ' ' ALA . 86.1 t80 -64.87 -32.0 73.5 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.009 -0.996 . . . . 0.0 110.923 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -82.9 -31.41 27.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.39 1.056 . . . . 0.0 109.439 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 39.3 t -75.72 -7.98 55.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.415 1.072 . . . . 0.0 109.946 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 26.2 ttt -110.94 -51.25 2.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.57 1.168 . . . . 0.0 111.063 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.693 ' CD2' ' CA ' ' A' ' 14' ' ' ALA . 55.8 tp -54.58 -65.25 0.61 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.404 1.065 . . . . 0.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.9 tp -73.89 -31.96 63.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.555 1.16 . . . . 0.0 109.337 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 80.6 88.57 0.56 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.513 1.133 . . . . 0.0 111.071 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -136.7 16.97 3.09 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.385 0.697 . . . . 0.0 111.029 -179.797 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -177.67 -55.15 0.07 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.476 1.11 . . . . 0.0 111.127 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.92 -42.51 97.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.628 0.84 . . . . 0.0 109.366 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 96.3 m -86.09 -41.97 14.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 110.328 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 60.5 mtt -87.62 84.44 7.1 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 124.338 1.024 . . . . 0.0 110.929 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 5.5 m -98.23 152.49 38.02 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.262 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo . . . . . 0 C--N 1.362 1.242 0 O-C-N 124.549 1.815 . . . . 0.0 110.947 -179.994 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -66.94 -44.52 80.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.536 1.147 . . . . 0.0 110.399 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 38.8 mm -95.03 121.83 45.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.541 1.151 . . . . 0.0 109.234 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.6 t -130.8 21.64 5.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.147 . . . . 0.0 110.385 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -60.91 -49.48 78.1 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.428 1.08 . . . . 0.0 110.945 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 8.2 ptp85 -60.89 155.23 54.66 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.471 0.747 . . . . 0.0 110.276 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_endo -89.84 0.35 5.66 Favored 'Trans proline' 0 C--N 1.361 1.23 0 O-C-N 124.51 1.795 . . . . 0.0 111.005 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -69.5 -34.32 74.14 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.495 1.122 . . . . 0.0 110.225 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 72.7 t90 -73.69 -32.86 64.15 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 8.5 mm -71.29 -37.73 66.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.277 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 76.1 t-105 -69.96 -36.89 75.61 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.495 1.122 . . . . 0.0 108.029 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 1.548 ' CD2' ' CD2' ' A' ' 61' ' ' LEU . 3.7 tt -66.38 -43.51 85.71 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.506 1.129 . . . . 0.0 109.347 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.62 -38.68 91.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.428 1.08 . . . . 0.0 109.28 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.9 tt -65.1 -40.62 94.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.439 1.087 . . . . 0.0 109.246 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.01 -42.47 96.74 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.391 1.057 . . . . 0.0 111.009 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.498 ' O ' ' CD1' ' A' ' 54' ' ' PHE . 41.3 m -66.22 -37.0 84.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.434 0.726 . . . . 0.0 110.372 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.84 -37.49 76.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.158 . . . . 0.0 109.278 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.5 tt -65.52 -45.58 82.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.198 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.418 ' O ' ' CB ' ' A' ' 50' ' ' PRO . 78.6 mtp -64.28 -42.15 96.56 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.478 1.111 . . . . 0.0 111.015 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -63.9 -39.6 97.5 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.463 1.102 . . . . 0.0 110.949 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 60.5 tp -67.6 -39.96 84.76 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.457 0.74 . . . . 0.0 109.299 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.64 -42.93 98.58 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.481 1.113 . . . . 0.0 111.006 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.906 ' CA ' ' CG ' ' A' ' 50' ' ' PRO . 45.1 m -67.27 -39.86 86.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 0.773 . . . . 0.0 110.416 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 59.0 tp -63.01 -45.82 90.57 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.416 1.072 . . . . 0.0 109.345 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 69.1 t80 -63.59 -37.13 86.16 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.456 1.097 . . . . 0.0 111.032 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.496 ' CZ ' ' C ' ' A' ' 46' ' ' THR . 88.2 t80 -66.77 -33.92 76.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.576 1.173 . . . . 0.0 111.028 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 22.2 mt -73.96 -42.32 60.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.565 1.165 . . . . 0.0 109.307 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 23.8 t -62.17 -44.68 99.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.516 1.135 . . . . 0.0 109.273 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.9 mmmm -73.06 -28.1 62.12 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.516 ' CA ' ' OH ' ' A' ' 43' ' ' TYR . . . -62.83 -62.08 5.85 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.508 1.13 . . . . 0.0 110.966 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 18.2 ptp -71.26 -19.33 62.37 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.462 0.742 . . . . 0.0 111.103 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -83.99 -6.4 86.72 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.507 1.13 . . . . 0.0 111.027 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 41.9 t . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.511 0.771 . . . . 0.0 109.343 -179.925 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo . . . . . 0 N--CA 1.454 -0.813 0 N-CA-C 110.962 -0.438 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -70.15 -33.28 71.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.378 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -71.21 -39.47 71.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 114.958 -1.019 . . . . 0.0 109.311 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.8 mmmp? -68.71 -36.11 78.02 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.138 . . . . 0.0 109.146 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 7.4 tppt? -67.48 -46.11 73.95 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.525 1.141 . . . . 0.0 109.157 -179.726 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -62.64 -39.8 94.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.692 1.245 . . . . 0.0 110.863 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.516 ' OH ' ' CA ' ' A' ' 31' ' ' GLY . 83.8 t80 -67.08 -39.29 86.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.321 1.013 . . . . 0.0 111.006 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.1 -46.06 89.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.569 1.168 . . . . 0.0 109.242 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 47.7 mt -62.6 -41.91 93.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 O-C-N 124.482 1.114 . . . . 0.0 109.24 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.496 ' C ' ' CZ ' ' A' ' 27' ' ' PHE . 96.7 m -65.44 -26.78 68.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.587 1.18 . . . . 0.0 110.421 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 93.8 m -87.8 -16.45 34.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.534 1.146 . . . . 0.0 110.486 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 24.8 mt -104.46 10.39 35.24 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.664 1.227 . . . . 0.0 109.285 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.562 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 1.0 OUTLIER -60.93 -49.24 89.99 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.565 1.166 . . . . 0.0 109.18 -179.936 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.906 ' CG ' ' CA ' ' A' ' 24' ' ' THR . 18.3 Cg_endo -74.95 -23.75 13.6 Favored 'Trans proline' 0 C--N 1.358 1.049 0 O-C-N 124.541 1.811 . . . . 0.0 110.99 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.723 ' N ' ' CG2' ' A' ' 24' ' ' THR . . . -70.64 -40.82 72.86 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 6.1 mm -73.81 -38.7 51.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.084 . . . . 0.0 109.333 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.17 -41.9 98.75 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.575 1.172 . . . . 0.0 109.133 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.498 ' CD1' ' O ' ' A' ' 17' ' ' THR . 86.7 t80 -68.37 -39.55 81.73 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.438 1.086 . . . . 0.0 111.092 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 54.2 m -62.28 -43.02 99.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.415 1.072 . . . . 0.0 110.32 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 81.7 mtp -68.04 -43.58 78.39 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.488 1.118 . . . . 0.0 110.842 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.638 ' CE1' ' CG ' ' A' ' 13' ' ' LEU . 78.1 t80 -62.65 -36.46 82.91 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.672 1.233 . . . . 0.0 111.039 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 8.1 tp -74.92 -34.76 62.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.585 1.178 . . . . 0.0 109.329 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 47.3 t -74.36 -6.86 50.55 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 0.0 110.016 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 49.3 ttm -107.25 -41.53 5.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.584 1.177 . . . . 0.0 111.04 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 1.548 ' CD2' ' CD2' ' A' ' 13' ' ' LEU . 0.2 OUTLIER -61.12 -64.45 0.95 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.605 1.19 . . . . 0.0 109.366 -179.929 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 9.8 mt -74.27 -34.9 63.71 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.385 1.053 . . . . 0.0 109.19 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 88.08 95.0 0.98 Allowed Glycine 0 CA--C 1.533 1.167 0 O-C-N 124.296 0.997 . . . . 0.0 110.986 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -144.01 19.66 1.78 Allowed 'General case' 0 C--N 1.322 -0.599 0 O-C-N 124.527 0.781 . . . . 0.0 111.061 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 172.78 -49.55 0.17 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.54 1.15 . . . . 0.0 110.995 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -70.95 -61.97 1.57 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 0.788 . . . . 0.0 109.283 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 19.8 m -78.6 -45.22 22.14 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.462 1.101 . . . . 0.0 110.28 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 24.6 mmt -100.88 80.11 2.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.626 1.204 . . . . 0.0 111.019 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.559 ' N ' ' CD ' ' A' ' 70' ' ' PRO . 2.1 t -60.95 -49.19 90.19 Favored Pre-proline 0 C--N 1.322 -0.587 0 O-C-N 124.706 1.254 . . . . 0.0 109.434 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.559 ' CD ' ' N ' ' A' ' 69' ' ' VAL . 18.6 Cg_endo . . . . . 0 C--N 1.36 1.152 0 O-C-N 124.395 1.734 . . . . 0.0 110.994 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.351 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -153.99 132.89 12.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 110.31 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 39.7 mm -91.58 94.26 4.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.335 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.0 t -129.14 20.48 5.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 110.39 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -86.87 -50.71 3.62 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.497 1.123 . . . . 0.0 110.997 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 30.9 mmm-85 -90.43 124.54 62.5 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.535 0.785 . . . . 0.0 110.323 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -69.81 -20.58 34.4 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.47 1.774 . . . . 0.0 111.018 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -71.27 -34.54 70.8 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.52 1.137 . . . . 0.0 110.34 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 1.434 ' CD1' ' CD1' ' A' ' 61' ' ' LEU . 71.2 t90 -71.16 -35.41 71.64 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 107.967 -1.124 . . . . 0.0 107.967 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 7.4 mm -70.98 -37.8 69.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 62.9 t90 -68.15 -37.83 81.48 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.918 -1.142 . . . . 0.0 107.918 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 1.52 ' CD2' ' CB ' ' A' ' 61' ' ' LEU . 3.5 tt -66.85 -43.3 84.0 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.58 -38.61 91.78 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.5 tp -65.34 -41.4 93.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.574 1.171 . . . . 0.0 109.383 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.03 -40.44 97.08 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.534 1.146 . . . . 0.0 111.031 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 1.497 ' OG1' ' CD1' ' A' ' 57' ' ' TYR . 44.2 m -68.2 -35.54 78.15 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.423 0.72 . . . . 0.0 110.297 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.68 -34.08 66.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.268 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 57.9 tp -67.25 -52.38 41.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 109.301 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.513 ' SD ' ' CB ' ' A' ' 53' ' ' ALA . 65.5 mtm -65.32 -33.9 77.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 111.061 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.515 ' CA ' ' CD1' ' A' ' 54' ' ' PHE . . . -67.75 -41.85 88.15 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.594 1.184 . . . . 0.0 111.048 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 62.7 tp -68.3 -40.87 81.59 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.564 0.802 . . . . 0.0 109.282 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.56 -39.24 97.41 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.462 1.101 . . . . 0.0 111.001 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 1.373 ' OG1' ' CB ' ' A' ' 50' ' ' PRO . 92.7 m -69.82 -39.98 76.18 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.453 0.737 . . . . 0.0 110.43 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.7 tt -64.12 -43.46 95.22 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 124.429 1.08 . . . . 0.0 109.352 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 81.4 t80 -65.22 -37.23 86.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 111.03 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.94 ' CD2' ' CG2' ' A' ' 47' ' ' THR . 92.1 t80 -66.3 -36.38 82.81 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.363 1.04 . . . . 0.0 111.075 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.819 ' CD2' ' CG2' ' A' ' 47' ' ' THR . 21.8 mt -70.57 -44.16 67.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.541 1.15 . . . . 0.0 109.3 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 33.6 t -64.25 -36.82 78.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 0.0 109.36 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -71.33 -35.12 71.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -67.69 -38.38 89.87 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.496 1.123 . . . . 0.0 111.135 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -77.2 -35.97 55.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 0.764 . . . . 0.0 111.008 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.455 ' O ' ' C ' ' A' ' 34' ' ' VAL . . . -72.08 -65.9 2.24 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.432 1.083 . . . . 0.0 110.991 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.455 ' C ' ' O ' ' A' ' 33' ' ' GLY . 2.7 p . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.493 0.76 . . . . 0.0 109.27 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.454 -0.848 0 N-CA-C 111.08 -0.392 . . . . 0.0 111.08 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -157.5 -50.73 0.07 Allowed 'General case' 0 C--N 1.327 -0.397 0 O-C-N 124.448 1.092 . . . . 0.0 109.239 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.02 -53.76 44.97 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.545 1.153 . . . . 0.0 109.339 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 60.3 mtpt -67.36 -28.37 67.89 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.535 1.147 . . . . 0.0 109.364 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.8 tppt? -64.33 -49.61 71.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.602 1.189 . . . . 0.0 109.412 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -62.87 -43.76 97.92 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.537 1.148 . . . . 0.0 110.794 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 87.1 t80 -61.14 -41.41 96.68 Favored 'General case' 0 C--N 1.323 -0.582 0 O-C-N 124.557 1.161 . . . . 0.0 110.854 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.66 -44.38 97.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.595 1.184 . . . . 0.0 109.332 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 44.9 mt -63.91 -39.21 84.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 O-C-N 124.612 1.195 . . . . 0.0 109.25 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.482 ' C ' ' CZ ' ' A' ' 27' ' ' PHE . 48.9 m -70.35 -18.82 63.08 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.661 1.226 . . . . 0.0 110.459 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.94 ' CG2' ' CD2' ' A' ' 27' ' ' PHE . 97.6 m -93.67 -17.3 23.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 110.334 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -101.86 -6.94 22.94 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.144 . . . . 0.0 109.33 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.548 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 0.9 OUTLIER -63.47 -49.49 77.98 Favored Pre-proline 0 N--CA 1.452 -0.362 0 O-C-N 124.513 1.133 . . . . 0.0 109.413 -179.932 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 1.373 ' CB ' ' OG1' ' A' ' 24' ' ' THR . 18.6 Cg_endo -74.99 -21.06 16.28 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.327 1.698 . . . . 0.0 111.064 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.414 ' N ' ' CG2' ' A' ' 24' ' ' THR . . . -73.07 -41.5 64.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.601 1.188 . . . . 0.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 49.9 mt -72.31 -37.28 57.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 O-C-N 124.41 1.069 . . . . 0.0 109.37 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.513 ' CB ' ' SD ' ' A' ' 20' ' ' MET . . . -64.05 -42.7 96.93 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.417 1.073 . . . . 0.0 109.348 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.98 ' CD1' ' O ' ' A' ' 17' ' ' THR . 50.6 t80 -66.51 -37.81 85.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.133 . . . . 0.0 111.103 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 94.6 m -67.23 -42.42 84.05 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.56 1.162 . . . . 0.0 110.377 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 79.0 mtp -67.2 -37.42 83.61 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.547 1.154 . . . . 0.0 111.088 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 1.497 ' CD1' ' OG1' ' A' ' 17' ' ' THR . 27.4 t80 -61.1 -39.07 88.57 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.549 1.156 . . . . 0.0 111.027 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.496 ' CG ' ' CG2' ' A' ' 17' ' ' THR . 20.5 mt -77.48 -30.61 53.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.611 1.194 . . . . 0.0 109.208 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 22.7 t -75.13 -6.8 51.5 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.442 1.089 . . . . 0.0 109.929 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 1.298 ' CE ' ' CD1' ' A' ' 13' ' ' LEU . 49.6 ttp -110.03 -50.76 2.94 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.499 1.124 . . . . 0.0 110.963 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 1.52 ' CB ' ' CD2' ' A' ' 13' ' ' LEU . 0.2 OUTLIER -57.4 -61.96 2.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.306 1.004 . . . . 0.0 109.29 -179.89 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.5 mt -74.26 -33.44 63.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.356 1.035 . . . . 0.0 109.226 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 79.76 91.86 0.42 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.363 1.04 . . . . 0.0 111.032 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -143.06 18.99 1.94 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 0.752 . . . . 0.0 111.015 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 176.57 -53.03 0.11 Allowed Glycine 0 CA--C 1.532 1.141 0 CA-C-N 114.868 -1.06 . . . . 0.0 110.938 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.7 -60.55 2.32 Favored 'General case' 0 C--N 1.323 -0.572 0 O-C-N 124.623 0.837 . . . . 0.0 109.28 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 27.2 m -78.98 -46.84 17.43 Favored 'General case' 0 C--N 1.322 -0.599 0 O-C-N 124.602 1.188 . . . . 0.0 110.405 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 25.8 mmt -102.52 83.38 2.28 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.494 1.121 . . . . 0.0 110.836 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.548 ' N ' ' CD ' ' A' ' 70' ' ' PRO . 1.9 t -60.29 -49.41 90.65 Favored Pre-proline 0 C--N 1.324 -0.54 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.548 ' CD ' ' N ' ' A' ' 69' ' ' VAL . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.161 0 O-C-N 124.425 1.75 . . . . 0.0 110.982 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo . . . . . 0 N--CA 1.453 -0.873 0 N-CA-C 111.132 -0.372 . . . . 0.0 111.132 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -69.04 -38.01 78.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.57 1.169 . . . . 0.0 110.358 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' TRP . . . . . 0.931 ' CE2' HD11 ' A' ' 61' ' ' LEU . 69.0 t90 -69.04 -35.25 76.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.58 1.175 . . . . 0.0 108.026 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 8.2 mm -69.4 -36.87 73.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.579 1.174 . . . . 0.0 109.257 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 75.5 t-105 -68.25 -35.27 77.65 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.547 1.155 . . . . 0.0 107.99 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 1.565 HD23 ' CD1' ' A' ' 57' ' ' TYR . 1.3 tt -67.53 -47.19 70.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.269 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.98 -38.11 87.35 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 0.0 109.187 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.8 tt -65.59 -41.08 93.23 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.506 1.129 . . . . 0.0 109.345 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.51 -40.8 97.96 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.529 1.143 . . . . 0.0 111.008 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.785 HG23 ' HB3' ' A' ' 57' ' ' TYR . 32.2 m -67.95 -37.08 81.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 0.763 . . . . 0.0 110.42 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.17 -35.82 74.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.442 1.089 . . . . 0.0 109.349 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.5 tt -66.7 -46.43 75.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.616 1.197 . . . . 0.0 109.317 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.896 ' O ' ' HB2' ' A' ' 50' ' ' PRO . 62.8 mmm -64.81 -39.57 93.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 111.036 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -66.76 -38.98 93.49 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.437 1.086 . . . . 0.0 110.96 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 64.5 tp -66.16 -46.25 78.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 0.775 . . . . 0.0 109.307 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -62.4 -39.12 97.37 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.525 1.14 . . . . 0.0 110.981 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' THR . . . . . 1.315 ' CA ' ' HG2' ' A' ' 50' ' ' PRO . 87.3 m -67.93 -34.9 77.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.435 0.727 . . . . 0.0 110.359 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.5 tt -62.61 -49.51 74.93 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -62.59 -37.18 85.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.575 1.172 . . . . 0.0 110.987 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 1.145 ' CD2' ' O ' ' A' ' 47' ' ' THR . 85.7 t80 -65.34 -35.06 79.82 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.136 . . . . 0.0 111.015 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.541 HD21 ' CD1' ' A' ' 48' ' ' LEU . 25.7 mt -72.76 -40.18 66.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.38 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 28.7 t -64.56 -41.6 92.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 53.8 mttp -72.75 -30.57 64.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -66.71 -45.46 84.14 Favored Glycine 0 CA--C 1.528 0.902 0 O-C-N 124.427 1.08 . . . . 0.0 110.962 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 72.1 mtm . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.501 0.765 . . . . 0.0 111.001 -179.971 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 6.7 mm -64.47 -42.36 95.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.5 1.125 . . . . 0.0 109.245 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' THR . . . . . 1.057 ' C ' ' CZ ' ' A' ' 27' ' ' PHE . 64.0 m -60.81 -29.94 69.77 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.442 1.089 . . . . 0.0 110.447 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' THR . . . . . 1.145 ' O ' ' CD2' ' A' ' 27' ' ' PHE . 59.1 m -85.95 -21.8 27.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.474 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.541 ' CD1' HD21 ' A' ' 28' ' ' LEU . 6.5 mp -102.61 19.07 19.78 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.643 1.214 . . . . 0.0 109.207 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.56 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 1.0 OUTLIER -60.35 -49.18 91.63 Favored Pre-proline 0 C--N 1.324 -0.54 0 O-C-N 124.515 1.134 . . . . 0.0 109.259 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 1.315 ' HG2' ' CA ' ' A' ' 24' ' ' THR . 18.4 Cg_endo -74.94 -24.29 13.09 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.36 1.716 . . . . 0.0 111.007 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 1.059 ' CA ' HG21 ' A' ' 24' ' ' THR . . . -69.78 -42.1 74.23 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.461 1.101 . . . . 0.0 109.299 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 46.4 mt -72.98 -39.31 57.73 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.442 0 O-C-N 124.389 1.056 . . . . 0.0 109.362 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.64 -40.66 92.79 Favored 'General case' 0 N--CA 1.45 -0.451 0 O-C-N 124.431 1.082 . . . . 0.0 109.334 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.723 ' CD1' HG22 ' A' ' 17' ' ' THR . 83.9 t80 -67.8 -41.75 82.68 Favored 'General case' 0 N--CA 1.449 -0.516 0 O-C-N 124.64 1.212 . . . . 0.0 111.081 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 85.3 m -61.76 -39.8 92.9 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.452 1.095 . . . . 0.0 110.429 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 81.9 mtp -69.45 -39.19 77.93 Favored 'General case' 0 C--N 1.327 -0.378 0 O-C-N 124.547 1.155 . . . . 0.0 111.131 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 1.565 ' CD1' HD23 ' A' ' 13' ' ' LEU . 67.6 t80 -72.11 -28.33 63.21 Favored 'General case' 0 C--N 1.322 -0.602 0 O-C-N 124.541 1.15 . . . . 0.0 110.931 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 8.8 tp -78.15 -41.27 35.36 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.413 1.071 . . . . 0.0 109.373 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 92.9 p -60.72 -25.69 66.62 Favored 'General case' 0 N--CA 1.45 -0.468 0 O-C-N 124.396 1.06 . . . . 0.0 110.091 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' MET . . . . . 1.45 ' CE ' HD11 ' A' ' 13' ' ' LEU . 54.4 ttp -92.8 -43.74 8.86 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.56 1.162 . . . . 0.0 111.106 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.931 HD11 ' CE2' ' A' ' 10' ' ' TRP . 30.4 tp -58.29 -60.26 4.04 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.478 1.111 . . . . 0.0 109.47 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 10.3 mp -70.5 -34.1 71.97 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 73.78 43.66 34.42 Favored Glycine 0 CA--C 1.533 1.163 0 O-C-N 124.488 1.118 . . . . 0.0 110.94 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 6.1 p90 -109.49 -17.5 13.74 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.699 0.882 . . . . 0.0 110.867 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -127.12 5.11 7.32 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.524 1.14 . . . . 0.0 110.993 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.539 0.787 . . . . 0.0 109.382 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo . . . . . 0 N--CA 1.453 -0.886 0 N-CA-C 111.063 -0.399 . . . . 0.0 111.063 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.91 -37.03 81.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.399 1.062 . . . . 0.0 110.331 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' TRP . . . . . 0.639 ' CG ' HD11 ' A' ' 61' ' ' LEU . 86.7 t90 -72.9 -32.87 65.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.616 1.198 . . . . 0.0 108.026 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 8.3 mm -70.58 -37.14 68.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.575 1.172 . . . . 0.0 109.365 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 53.9 t90 -70.2 -37.54 75.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.597 1.186 . . . . 0.0 108.067 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 1.228 HD23 ' CB ' ' A' ' 61' ' ' LEU . 10.4 tp -66.28 -43.82 85.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.088 . . . . 0.0 109.329 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.849 ' HB2' HD21 ' A' ' 61' ' ' LEU . . . -63.87 -40.08 95.7 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.573 1.17 . . . . 0.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 59.8 tp -64.31 -40.23 95.52 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.606 1.191 . . . . 0.0 109.309 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.76 -42.8 96.96 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.53 1.144 . . . . 0.0 111.008 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' THR . . . . . 1.056 HG21 ' HG ' ' A' ' 58' ' ' LEU . 37.1 m -66.61 -36.04 81.64 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.464 0.743 . . . . 0.0 110.421 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.06 -37.77 75.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.337 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.3 tt -65.57 -45.76 82.06 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.536 1.148 . . . . 0.0 109.322 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' MET . . . . . 1.506 ' CE ' ' CB ' ' A' ' 53' ' ' ALA . 79.3 mtp -64.31 -41.51 96.81 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 110.938 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.555 ' HA3' ' CD1' ' A' ' 54' ' ' PHE . . . -64.32 -39.91 97.4 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.441 1.088 . . . . 0.0 111.007 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 61.5 tp -67.66 -39.34 84.56 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.532 0.784 . . . . 0.0 109.371 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.84 -42.69 98.37 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.494 1.121 . . . . 0.0 110.983 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' THR . . . . . 1.214 ' OG1' ' CB ' ' A' ' 50' ' ' PRO . 43.7 m -67.66 -40.3 84.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 0.784 . . . . 0.0 110.45 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.7 tt -62.64 -45.5 92.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.363 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -63.88 -37.54 87.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 110.966 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 1.243 ' CD2' HG23 ' A' ' 47' ' ' THR . 88.6 t80 -66.51 -33.88 76.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.542 1.151 . . . . 0.0 111.053 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.822 HD23 HG21 ' A' ' 47' ' ' THR . 22.7 mt -74.65 -41.94 59.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.313 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 17.3 t -61.84 -45.04 99.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.113 . . . . 0.0 109.314 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.8 mmmm -71.94 -33.46 68.24 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.445 1.091 . . . . 0.0 109.337 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.37 -45.29 96.44 Favored Glycine 0 CA--C 1.532 1.146 0 O-C-N 124.42 1.075 . . . . 0.0 110.916 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 70.6 mtm . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.553 0.796 . . . . 0.0 111.024 -179.965 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.4 mp -63.76 -38.33 82.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 O-C-N 124.51 1.131 . . . . 0.0 109.266 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 37.8 m -69.58 -19.79 63.66 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.453 1.096 . . . . 0.0 110.556 179.776 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' THR . . . . . 1.243 HG23 ' CD2' ' A' ' 27' ' ' PHE . 96.0 m -93.74 -16.98 23.66 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.529 1.143 . . . . 0.0 110.432 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.517 HD13 ' HB3' ' A' ' 51' ' ' ALA . 3.5 mm? -101.46 -6.44 23.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.579 1.175 . . . . 0.0 109.348 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.541 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 0.9 OUTLIER -63.95 -49.87 72.72 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.428 1.08 . . . . 0.0 109.371 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 1.214 ' CB ' ' OG1' ' A' ' 24' ' ' THR . 18.3 Cg_endo -74.98 -22.14 15.16 Favored 'Trans proline' 0 C--N 1.361 1.224 0 O-C-N 124.577 1.83 . . . . 0.0 110.953 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.823 ' CA ' HG21 ' A' ' 24' ' ' THR . . . -71.18 -44.3 65.74 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.684 1.24 . . . . 0.0 109.266 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 6.1 mm -70.51 -37.9 71.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 109.345 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 1.506 ' CB ' ' CE ' ' A' ' 20' ' ' MET . . . -62.1 -41.09 97.87 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.242 0.964 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.917 ' CD1' ' O ' ' A' ' 17' ' ' THR . 48.2 t80 -66.31 -41.36 89.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.329 1.018 . . . . 0.0 110.943 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 57.3 m -65.26 -39.6 92.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.342 1.026 . . . . 0.0 110.234 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 76.1 mtp -69.6 -37.17 76.8 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.466 1.103 . . . . 0.0 110.951 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.873 ' CZ ' ' N ' ' A' ' 17' ' ' THR . 40.0 t80 -62.79 -33.9 76.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.432 1.083 . . . . 0.0 111.154 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 1.056 ' HG ' HG21 ' A' ' 17' ' ' THR . 18.3 mt -83.07 -30.64 27.84 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.444 1.09 . . . . 0.0 109.286 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 42.7 t -72.48 -10.81 60.25 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.568 1.167 . . . . 0.0 110.008 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 23.7 ttt -110.99 -50.15 2.97 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 0.0 110.996 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 1.228 ' CB ' HD23 ' A' ' 13' ' ' LEU . 44.5 tp -54.22 -62.92 1.34 Allowed 'General case' 0 C--N 1.327 -0.399 0 O-C-N 124.464 1.102 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 9.0 mt -75.85 -31.66 59.42 Favored 'General case' 0 C--N 1.322 -0.61 0 O-C-N 124.679 1.237 . . . . 0.0 109.441 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 79.75 91.95 0.41 Allowed Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.546 1.154 . . . . 0.0 110.932 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -146.16 22.81 1.36 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.422 0.719 . . . . 0.0 110.984 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -176.0 -53.95 0.06 OUTLIER Glycine 0 CA--C 1.532 1.105 0 O-C-N 124.449 1.093 . . . . 0.0 111.101 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 10.2 mt . . . . . 0 C--N 1.323 -0.552 0 O-C-N 124.761 0.918 . . . . 0.0 109.217 -179.951 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo . . . . . 0 N--CA 1.453 -0.856 0 N-CA-C 110.985 -0.429 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -71.59 -37.4 71.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.282 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' TRP . . . . . 0.492 ' CD2' HD11 ' A' ' 61' ' ' LEU . 85.3 t90 -69.21 -34.92 75.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 107.992 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 7.7 mm -70.52 -38.6 74.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.088 . . . . 0.0 109.299 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 73.9 t-105 -68.2 -34.78 76.9 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 1.363 ' CD1' ' CE ' ' A' ' 60' ' ' MET . 12.1 tp -67.31 -45.87 75.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.27 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.867 ' HA ' HD22 ' A' ' 61' ' ' LEU . . . -63.51 -37.53 87.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.263 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.6 tt -65.89 -40.94 92.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.413 1.071 . . . . 0.0 109.374 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.17 -40.22 96.67 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.459 1.1 . . . . 0.0 110.94 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' THR . . . . . 1.045 ' N ' ' CZ ' ' A' ' 57' ' ' TYR . 41.3 m -68.02 -35.18 77.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 0.796 . . . . 0.0 110.399 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.27 -34.46 65.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.427 1.079 . . . . 0.0 109.341 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 11.9 tp -66.58 -53.12 37.97 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.453 1.095 . . . . 0.0 109.326 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.929 ' SD ' ' HB1' ' A' ' 53' ' ' ALA . 69.3 mtm -64.4 -36.99 85.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 111.003 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -64.41 -41.97 97.83 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.485 1.116 . . . . 0.0 111.047 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 63.2 tp -67.85 -38.99 83.84 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.47 0.747 . . . . 0.0 109.335 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -62.85 -44.53 97.31 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.485 1.116 . . . . 0.0 111.002 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' THR . . . . . 1.442 ' OG1' ' CB ' ' A' ' 50' ' ' PRO . 52.8 m -66.81 -39.33 87.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.4 0.706 . . . . 0.0 110.427 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.4 tt -62.24 -46.84 87.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.575 1.172 . . . . 0.0 109.32 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 69.2 t80 -64.0 -35.98 82.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.102 . . . . 0.0 110.95 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 1.283 ' HD2' ' CG2' ' A' ' 47' ' ' THR . 76.8 t80 -66.72 -32.0 73.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 110.971 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.885 HD23 HG21 ' A' ' 47' ' ' THR . 21.9 mt -79.13 -37.26 39.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 9.5 t -60.74 -49.14 85.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 109.255 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.8 pttp -78.64 -24.92 44.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.4 -42.0 95.5 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.538 1.149 . . . . 0.0 110.981 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 63.7 mtm . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.563 0.802 . . . . 0.0 111.042 179.99 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.226 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 6.0 mm -62.84 -38.45 81.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.647 ' HB ' ' HZ ' ' A' ' 27' ' ' PHE . 98.8 m -68.99 -26.11 64.86 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.388 1.055 . . . . 0.0 110.329 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' THR . . . . . 1.283 ' CG2' ' HD2' ' A' ' 27' ' ' PHE . 55.8 m -92.24 -7.92 46.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.142 . . . . 0.0 110.476 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.1 tp -102.59 -7.3 21.93 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.491 1.119 . . . . 0.0 109.253 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.551 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 1.3 t -64.89 -49.45 68.43 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.335 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 1.442 ' CB ' ' OG1' ' A' ' 24' ' ' THR . 18.3 Cg_endo -75.11 -17.81 19.01 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.44 1.758 . . . . 0.0 111.004 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.63 -43.48 69.14 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.642 1.214 . . . . 0.0 109.336 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.4 mp -74.4 -37.82 45.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 109.28 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.929 ' HB1' ' SD ' ' A' ' 20' ' ' MET . . . -61.31 -42.62 98.97 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.446 1.091 . . . . 0.0 109.284 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.523 ' HD1' ' O ' ' A' ' 17' ' ' THR . 83.5 t80 -68.22 -41.44 81.29 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.517 1.136 . . . . 0.0 111.029 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 59.3 m -59.78 -41.81 91.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 110.397 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 83.6 mtp -69.4 -41.31 76.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.564 1.165 . . . . 0.0 111.059 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 1.045 ' CZ ' ' N ' ' A' ' 17' ' ' THR . 76.3 t80 -63.65 -31.76 73.03 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.633 1.208 . . . . 0.0 111.122 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.544 ' CD2' HG21 ' A' ' 17' ' ' THR . 0.1 OUTLIER -81.65 -33.75 31.19 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.609 1.193 . . . . 0.0 109.211 -179.957 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 39.0 t -73.54 -8.26 55.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.346 1.029 . . . . 0.0 109.97 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' MET . . . . . 1.363 ' CE ' ' CD1' ' A' ' 13' ' ' LEU . 50.5 ttp -110.46 -43.72 3.83 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.532 1.145 . . . . 0.0 111.039 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 1.014 ' HA ' HD23 ' A' ' 13' ' ' LEU . 55.9 tp -56.99 -65.68 0.58 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.566 1.166 . . . . 0.0 109.422 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.8 tp -74.61 -39.09 62.38 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.385 1.053 . . . . 0.0 109.19 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 89.98 86.89 1.32 Allowed Glycine 0 CA--C 1.532 1.096 0 O-C-N 124.423 1.077 . . . . 0.0 111.022 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -113.17 -9.75 13.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.609 0.829 . . . . 0.0 110.984 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -177.8 -43.49 0.07 OUTLIER Glycine 0 CA--C 1.528 0.9 0 O-C-N 124.504 1.127 . . . . 0.0 111.088 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.423 0 O-C-N 124.461 0.742 . . . . 0.0 109.343 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo . . . . . 0 N--CA 1.454 -0.808 0 N-CA-C 110.963 -0.437 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -70.1 -38.65 75.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 110.303 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' TRP . . . . . 0.763 ' CD2' HD11 ' A' ' 61' ' ' LEU . 58.5 t90 -69.11 -35.75 76.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 107.984 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 6.4 mm -68.74 -38.67 79.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.582 1.177 . . . . 0.0 109.318 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 75.6 t-105 -68.15 -36.24 79.36 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.494 1.121 . . . . 0.0 107.99 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 1.175 HD23 ' CB ' ' A' ' 61' ' ' LEU . 10.1 tp -66.18 -44.39 84.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.264 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 1.195 ' C ' ' OH ' ' A' ' 57' ' ' TYR . . . -64.36 -37.4 87.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.752 ' N ' ' OH ' ' A' ' 57' ' ' TYR . 9.9 tp -65.08 -41.55 94.95 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.462 1.101 . . . . 0.0 109.328 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.56 -40.48 96.09 Favored Glycine 0 CA--C 1.528 0.905 0 O-C-N 124.604 1.19 . . . . 0.0 111.013 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.964 ' N ' ' CZ ' ' A' ' 57' ' ' TYR . 43.4 m -67.77 -34.99 77.89 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.363 0.684 . . . . 0.0 110.441 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.07 -35.46 66.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 109.226 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 58.5 tp -66.0 -53.11 42.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 109.388 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.852 ' SD ' ' HB1' ' A' ' 53' ' ' ALA . 66.9 mtm -63.87 -37.9 89.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 111.005 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -64.12 -40.71 98.34 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.519 1.137 . . . . 0.0 110.992 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 61.6 tp -68.28 -39.66 82.06 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 0.761 . . . . 0.0 109.179 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.06 -43.01 99.44 Favored Glycine 0 CA--C 1.528 0.879 0 O-C-N 124.542 1.151 . . . . 0.0 110.993 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.785 HG23 ' HG2' ' A' ' 50' ' ' PRO . 55.9 m -67.66 -39.8 84.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.4 0.706 . . . . 0.0 110.408 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 61.4 tp -62.66 -46.21 89.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 109.312 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 91.4 t80 -63.02 -38.04 89.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 110.989 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 1.084 ' CD2' HG23 ' A' ' 47' ' ' THR . 88.7 t80 -66.04 -35.17 79.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.118 . . . . 0.0 110.977 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.906 HD23 HG21 ' A' ' 47' ' ' THR . 22.4 mt -72.35 -40.94 66.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 109.333 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 20.4 t -61.52 -46.41 96.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.449 1.093 . . . . 0.0 109.276 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.3 mmpp? -69.28 -33.33 73.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.341 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -61.02 -43.95 98.81 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.612 1.195 . . . . 0.0 110.986 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 73.8 mtm . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.51 0.77 . . . . 0.0 110.916 -179.909 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.4 mp -62.97 -38.63 82.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 O-C-N 124.558 1.161 . . . . 0.0 109.288 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 42.9 m -70.08 -19.39 63.27 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.417 1.073 . . . . 0.0 110.439 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' THR . . . . . 1.084 HG23 ' CD2' ' A' ' 27' ' ' PHE . 97.2 m -93.37 -17.06 23.97 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.57 1.169 . . . . 0.0 110.254 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.517 HD13 ' HB3' ' A' ' 51' ' ' ALA . 3.5 mm? -101.6 -5.86 24.55 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.536 1.148 . . . . 0.0 109.426 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.547 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 0.9 OUTLIER -64.4 -49.54 71.33 Favored Pre-proline 0 C--N 1.327 -0.41 0 O-C-N 124.469 1.106 . . . . 0.0 109.197 -179.814 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.785 ' HG2' HG23 ' A' ' 24' ' ' THR . 18.4 Cg_endo -75.06 -20.19 16.98 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.487 1.783 . . . . 0.0 111.016 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.66 ' CA ' HG21 ' A' ' 24' ' ' THR . . . -73.38 -42.68 61.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.668 1.23 . . . . 0.0 109.26 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 52.5 mt -73.13 -37.97 53.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.333 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.852 ' HB1' ' SD ' ' A' ' 20' ' ' MET . . . -62.05 -43.57 98.55 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.496 1.122 . . . . 0.0 109.248 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.766 ' HD1' ' O ' ' A' ' 17' ' ' THR . 83.3 t80 -67.31 -41.24 85.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 111.028 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 52.8 m -60.08 -43.24 95.64 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.439 1.087 . . . . 0.0 110.378 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 83.6 mtp -68.64 -40.96 80.04 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.561 1.163 . . . . 0.0 111.087 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 1.195 ' OH ' ' C ' ' A' ' 14' ' ' ALA . 79.5 t80 -63.07 -31.38 72.5 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.571 1.169 . . . . 0.0 111.119 179.813 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.772 ' CD2' HG21 ' A' ' 17' ' ' THR . 0.1 OUTLIER -81.46 -36.04 29.83 Favored 'General case' 0 C--N 1.327 -0.394 0 O-C-N 124.444 1.09 . . . . 0.0 109.334 179.882 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 11.2 t -71.05 -10.12 59.22 Favored 'General case' 0 C--N 1.327 -0.39 0 O-C-N 124.518 1.136 . . . . 0.0 110.127 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' MET . . . . . 1.09 ' HE2' HD11 ' A' ' 13' ' ' LEU . 56.3 ttp -107.76 -44.72 4.17 Favored 'General case' 0 N--CA 1.453 -0.31 0 O-C-N 124.551 1.157 . . . . 0.0 110.85 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 1.175 ' CB ' HD23 ' A' ' 13' ' ' LEU . 56.1 tp -57.68 -60.0 4.34 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.494 1.121 . . . . 0.0 109.244 -179.809 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -74.46 -38.19 63.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 89.21 88.81 1.22 Allowed Glycine 0 CA--C 1.531 1.082 0 O-C-N 124.591 1.182 . . . . 0.0 110.872 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -121.26 0.11 10.01 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.618 0.834 . . . . 0.0 111.099 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 177.2 -43.74 0.1 OUTLIER Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.467 1.105 . . . . 0.0 111.126 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 8.9 mp . . . . . 0 N--CA 1.449 -0.49 0 O-C-N 124.453 0.737 . . . . 0.0 109.355 179.972 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_endo . . . . . 0 N--CA 1.452 -0.93 0 N-CA-C 111.041 -0.407 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 51.3 mp0 -67.82 -35.34 78.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.24 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' TRP . . . . . 0.626 ' NE1' ' O ' ' A' ' 61' ' ' LEU . 48.6 t90 -67.92 -38.9 83.46 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.467 1.104 . . . . 0.0 108.06 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 6.3 mm -67.46 -36.81 77.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 0.0 109.284 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 76.6 t-105 -67.44 -35.09 78.55 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.627 1.205 . . . . 0.0 107.977 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 1.246 HD23 ' CE1' ' A' ' 57' ' ' TYR . 1.3 tt -67.11 -47.7 70.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.339 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 1.286 ' C ' ' OH ' ' A' ' 57' ' ' TYR . . . -61.49 -38.18 86.36 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.359 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.866 ' N ' ' OH ' ' A' ' 57' ' ' TYR . 3.9 tt -65.0 -41.32 95.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.434 ' N ' ' OH ' ' A' ' 57' ' ' TYR . . . -64.17 -42.67 97.89 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.513 1.133 . . . . 0.0 110.995 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' THR . . . . . 1.126 ' N ' ' CZ ' ' A' ' 57' ' ' TYR . 30.2 m -66.01 -36.95 84.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 0.75 . . . . 0.0 110.457 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.65 -38.09 77.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.446 1.091 . . . . 0.0 109.338 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.5 tt -65.23 -43.88 90.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.345 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' MET . . . . . 1.564 ' CE ' ' HB1' ' A' ' 53' ' ' ALA . 77.9 mtp -64.14 -45.66 87.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.996 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -63.4 -35.75 92.47 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.532 1.145 . . . . 0.0 111.057 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.5 tt -65.09 -49.3 70.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.568 0.804 . . . . 0.0 109.286 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -61.47 -39.72 97.69 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.464 1.103 . . . . 0.0 110.99 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' THR . . . . . 1.347 ' OG1' ' CB ' ' A' ' 50' ' ' PRO . 88.9 m -66.66 -34.52 78.05 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.536 0.786 . . . . 0.0 110.469 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.1 tp -62.38 -53.79 49.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -61.45 -36.25 79.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 111.08 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.95 ' CZ ' ' C ' ' A' ' 46' ' ' THR . 90.6 t80 -63.84 -36.87 85.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 110.968 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.613 HD23 HG21 ' A' ' 47' ' ' THR . 23.0 mt -71.54 -40.33 70.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.598 1.186 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 39.3 t -64.32 -38.94 83.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.105 . . . . 0.0 109.375 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 55.7 mttm -73.66 -32.29 63.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.567 1.167 . . . . 0.0 109.335 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -65.26 -45.01 92.81 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.558 1.161 . . . . 0.0 111.023 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 72.7 mtm . . . . . 0 C--N 1.326 -0.421 0 O-C-N 124.395 0.703 . . . . 0.0 111.073 179.953 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.35 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.4 mp -62.99 -39.52 85.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.6 1.188 . . . . 0.0 109.332 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.95 ' C ' ' CZ ' ' A' ' 27' ' ' PHE . 51.2 m -68.06 -25.56 65.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 110.372 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.613 HG21 HD23 ' A' ' 28' ' ' LEU . 55.3 m -92.94 -8.84 42.04 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 124.441 1.088 . . . . 0.0 110.508 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.9 tp -102.22 -7.16 22.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.409 1.068 . . . . 0.0 109.412 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.544 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 1.3 t -65.06 -50.18 63.03 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 109.184 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 1.347 ' CB ' ' OG1' ' A' ' 24' ' ' THR . 18.2 Cg_endo -74.97 -14.6 21.16 Favored 'Trans proline' 0 C--N 1.361 1.235 0 O-C-N 124.525 1.803 . . . . 0.0 110.957 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -73.5 -50.96 18.8 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.605 1.19 . . . . 0.0 109.247 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 37.6 pt -71.53 -30.72 40.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 1.564 ' HB1' ' CE ' ' A' ' 20' ' ' MET . . . -65.57 -45.72 82.23 Favored 'General case' 0 C--N 1.323 -0.577 0 O-C-N 124.619 1.199 . . . . 0.0 109.317 179.82 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.629 ' HD1' ' O ' ' A' ' 17' ' ' THR . 82.2 t80 -67.96 -37.58 81.73 Favored 'General case' 0 C--N 1.322 -0.611 0 O-C-N 124.55 1.156 . . . . 0.0 110.935 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 83.3 m -62.6 -43.68 98.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.402 1.064 . . . . 0.0 110.302 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 80.7 mtp -69.14 -41.23 77.58 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.449 1.093 . . . . 0.0 111.038 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 1.286 ' OH ' ' C ' ' A' ' 14' ' ' ALA . 81.1 t80 -64.99 -32.57 74.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.432 1.083 . . . . 0.0 110.961 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.6 tp -79.48 -35.3 40.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.429 1.081 . . . . 0.0 109.438 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 47.1 t -73.27 -9.17 58.42 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.65 1.219 . . . . 0.0 110.002 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' MET . . . . . 1.143 ' CE ' HD11 ' A' ' 13' ' ' LEU . 55.6 ttp -108.21 -41.21 4.96 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.517 1.135 . . . . 0.0 110.918 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.972 HD13 ' N ' ' A' ' 14' ' ' ALA . 14.2 tp -59.24 -65.37 0.68 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.0 mt -74.39 -33.95 63.17 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 124.348 1.03 . . . . 0.0 109.286 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 88.13 92.46 1.04 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.577 1.173 . . . . 0.0 111.043 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -142.67 19.38 2.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 0.779 . . . . 0.0 110.909 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 175.07 -52.63 0.13 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.435 1.084 . . . . 0.0 111.119 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.7 mm? . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.645 0.85 . . . . 0.0 109.282 179.984 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo . . . . . 0 N--CA 1.454 -0.85 0 N-CA-C 110.962 -0.438 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -68.98 -40.61 78.71 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.564 1.165 . . . . 0.0 110.362 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' TRP . . . . . 0.713 ' CE2' HD11 ' A' ' 61' ' ' LEU . 85.9 t90 -71.67 -32.74 68.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 107.992 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 8.5 mm -69.09 -36.78 75.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.566 1.166 . . . . 0.0 109.333 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 75.3 t-105 -69.64 -35.35 75.13 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 1.251 HD23 ' CE1' ' A' ' 57' ' ' TYR . 1.3 tt -66.49 -47.26 73.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.554 1.159 . . . . 0.0 109.29 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.781 ' HA ' HD22 ' A' ' 61' ' ' LEU . . . -61.82 -39.0 90.23 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.405 1.066 . . . . 0.0 109.325 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.9 tt -64.55 -40.96 96.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.242 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.19 -42.18 98.05 Favored Glycine 0 CA--C 1.532 1.097 0 O-C-N 124.524 1.14 . . . . 0.0 110.951 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.986 HG21 ' HG ' ' A' ' 58' ' ' LEU . 33.4 m -66.95 -36.87 83.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.58 0.812 . . . . 0.0 110.392 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.28 -37.64 77.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 11.8 tp -65.47 -46.0 81.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' MET . . . . . 1.522 ' CE ' ' HB1' ' A' ' 53' ' ' ALA . 78.7 mtp -63.47 -42.2 98.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.401 1.063 . . . . 0.0 110.939 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.478 ' CA ' ' CD1' ' A' ' 54' ' ' PHE . . . -63.95 -39.68 97.54 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.477 1.111 . . . . 0.0 111.037 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.7 tt -67.75 -39.32 84.19 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.457 0.739 . . . . 0.0 109.346 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.4 -42.54 97.6 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.397 1.061 . . . . 0.0 110.965 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' THR . . . . . 1.23 ' OG1' ' HB2' ' A' ' 50' ' ' PRO . 43.5 m -66.55 -39.99 88.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 0.771 . . . . 0.0 110.37 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 56.5 tp -63.63 -46.26 86.5 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 72.9 t80 -63.02 -37.01 85.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 111.028 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 1.168 ' CD2' HG23 ' A' ' 47' ' ' THR . 86.0 t80 -66.45 -36.61 83.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 111.067 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.773 HD23 HG21 ' A' ' 47' ' ' THR . 20.6 mt -70.41 -42.68 71.32 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.564 1.165 . . . . 0.0 109.347 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 39.1 t -66.55 -34.7 71.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 0.0 109.327 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 27.3 ttpp -71.35 -37.22 71.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -64.9 -49.67 61.94 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.478 1.111 . . . . 0.0 110.985 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 67.0 mtm . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.478 0.752 . . . . 0.0 110.97 -179.984 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.232 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 45.4 mt -63.48 -39.25 84.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.403 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.438 ' C ' ' CZ ' ' A' ' 27' ' ' PHE . 45.5 m -70.47 -18.55 62.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.411 1.069 . . . . 0.0 110.414 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' THR . . . . . 1.168 HG23 ' CD2' ' A' ' 27' ' ' PHE . 97.4 m -93.96 -17.31 23.08 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.563 1.164 . . . . 0.0 110.48 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.508 HD13 ' HB3' ' A' ' 51' ' ' ALA . 3.5 mm? -101.73 -7.03 22.96 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.517 1.136 . . . . 0.0 109.29 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.545 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 0.9 OUTLIER -63.58 -49.93 75.05 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.588 1.18 . . . . 0.0 109.35 179.931 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 1.23 ' HB2' ' OG1' ' A' ' 24' ' ' THR . 18.4 Cg_endo -74.92 -22.59 14.83 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.523 1.802 . . . . 0.0 111.109 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.814 ' CA ' HG21 ' A' ' 24' ' ' THR . . . -70.37 -45.22 66.48 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.553 1.158 . . . . 0.0 109.274 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 6.5 mm -69.74 -38.91 77.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.69 1.244 . . . . 0.0 109.326 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 1.522 ' HB1' ' CE ' ' A' ' 20' ' ' MET . . . -60.15 -41.09 92.02 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.491 1.119 . . . . 0.0 109.207 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.952 ' CD1' ' O ' ' A' ' 17' ' ' THR . 38.2 t80 -66.84 -38.29 86.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.355 1.034 . . . . 0.0 110.946 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 47.2 m -65.25 -41.14 94.62 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.372 1.045 . . . . 0.0 110.305 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 53.2 mtm -69.26 -37.32 77.87 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.515 1.134 . . . . 0.0 110.996 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 1.251 ' CE1' HD23 ' A' ' 13' ' ' LEU . 38.0 t80 -62.21 -35.17 78.06 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.467 1.104 . . . . 0.0 110.902 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.986 ' HG ' HG21 ' A' ' 17' ' ' THR . 43.5 mt -80.81 -34.73 33.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.558 1.161 . . . . 0.0 109.251 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 44.3 t -65.56 -17.02 64.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 0.0 109.895 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.89 ' SD ' HD11 ' A' ' 13' ' ' LEU . 20.1 ttm -104.9 -46.75 4.21 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 124.552 1.158 . . . . 0.0 111.003 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.781 HD22 ' HA ' ' A' ' 14' ' ' ALA . 46.7 tp -55.32 -62.51 1.63 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.645 1.215 . . . . 0.0 109.424 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 10.8 mt -71.77 -34.14 69.19 Favored 'General case' 0 C--N 1.328 -0.356 0 O-C-N 124.451 1.094 . . . . 0.0 109.319 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 75.75 78.57 0.66 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.565 1.165 . . . . 0.0 111.008 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -142.89 22.36 1.94 Allowed 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.552 0.795 . . . . 0.0 110.962 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -172.47 -53.99 0.04 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.672 1.233 . . . . 0.0 111.021 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.52 0 O-C-N 124.466 0.745 . . . . 0.0 109.338 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo . . . . . 0 N--CA 1.453 -0.857 0 N-CA-C 110.995 -0.425 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -66.24 -36.64 83.53 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.464 1.102 . . . . 0.0 110.27 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' TRP . . . . . 0.795 ' CE2' HD11 ' A' ' 61' ' ' LEU . 75.0 t90 -69.32 -36.47 77.0 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.072 -1.084 . . . . 0.0 108.072 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 7.4 mm -69.0 -35.51 69.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.612 1.195 . . . . 0.0 109.266 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 63.7 t90 -68.74 -36.59 78.57 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 1.616 HD23 ' CE1' ' A' ' 57' ' ' TYR . 1.1 tt -67.97 -46.07 72.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.267 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.73 -39.35 91.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.417 1.073 . . . . 0.0 109.316 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 60.0 tp -65.37 -41.09 94.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.604 1.19 . . . . 0.0 109.316 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.04 -41.91 98.37 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.488 1.118 . . . . 0.0 110.921 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.817 ' O ' ' HD1' ' A' ' 54' ' ' PHE . 34.7 m -67.0 -36.82 83.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.581 0.812 . . . . 0.0 110.376 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.64 -37.19 76.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.42 1.075 . . . . 0.0 109.21 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.4 tt -65.69 -45.92 81.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.323 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.741 ' O ' ' HB2' ' A' ' 50' ' ' PRO . 78.5 mtp -63.77 -42.65 97.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 111.022 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -63.73 -39.37 97.41 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.46 1.1 . . . . 0.0 111.021 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 61.6 tp -66.98 -40.74 87.49 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.417 0.716 . . . . 0.0 109.288 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.35 -42.7 99.09 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.483 1.115 . . . . 0.0 110.97 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' THR . . . . . 1.241 ' CA ' ' HG2' ' A' ' 50' ' ' PRO . 37.9 m -66.72 -40.25 88.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 0.748 . . . . 0.0 110.4 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 59.5 tp -63.25 -45.62 90.67 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.467 1.105 . . . . 0.0 109.284 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 73.7 t80 -62.51 -37.55 86.46 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.527 1.142 . . . . 0.0 111.07 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.484 ' CD2' ' O ' ' A' ' 47' ' ' THR . 88.8 t80 -67.99 -34.65 76.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 111.005 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 23.2 mt -72.03 -39.23 69.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.429 1.081 . . . . 0.0 109.387 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 19.5 t -63.7 -42.22 95.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 109.309 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 40.6 mmtm -74.47 -29.71 61.56 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.562 1.163 . . . . 0.0 109.342 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -65.41 -43.31 95.13 Favored Glycine 0 CA--C 1.531 1.081 0 O-C-N 124.538 1.149 . . . . 0.0 110.994 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 72.2 mtm . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.602 0.825 . . . . 0.0 110.999 179.965 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 51.3 mt -62.77 -41.92 94.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 O-C-N 124.394 1.059 . . . . 0.0 109.381 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.416 ' C ' ' CZ ' ' A' ' 27' ' ' PHE . 98.9 m -63.83 -27.82 69.43 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.551 1.157 . . . . 0.0 110.454 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.484 ' O ' ' CD2' ' A' ' 27' ' ' PHE . 90.7 m -87.05 -18.96 29.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.362 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 6.1 mp -103.09 13.28 34.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.562 1.164 . . . . 0.0 109.304 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.566 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 1.0 OUTLIER -60.18 -49.03 92.72 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.396 1.06 . . . . 0.0 109.364 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 1.241 ' HG2' ' CA ' ' A' ' 24' ' ' THR . 18.9 Cg_endo -75.04 -24.15 13.03 Favored 'Trans proline' 0 C--N 1.361 1.223 0 O-C-N 124.456 1.766 . . . . 0.0 111.089 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 1.141 ' CB ' HG21 ' A' ' 24' ' ' THR . . . -70.2 -40.16 74.75 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.583 1.177 . . . . 0.0 109.265 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 47.5 mt -74.21 -39.62 49.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 O-C-N 124.686 1.241 . . . . 0.0 109.247 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.534 ' O ' ' HE1' ' A' ' 20' ' ' MET . . . -61.12 -42.63 98.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.563 1.165 . . . . 0.0 109.3 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.817 ' HD1' ' O ' ' A' ' 17' ' ' THR . 87.5 t80 -67.32 -41.52 85.16 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.425 1.078 . . . . 0.0 111.16 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 53.2 m -60.13 -41.75 93.34 Favored 'General case' 0 N--CA 1.45 -0.43 0 O-C-N 124.353 1.033 . . . . 0.0 110.543 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 83.7 mtp -69.73 -39.31 76.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 110.908 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 1.616 ' CE1' HD23 ' A' ' 13' ' ' LEU . 77.2 t80 -65.75 -31.48 72.49 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.593 1.183 . . . . 0.0 111.055 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -81.82 -33.61 30.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 34.0 t -72.89 -11.83 60.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.963 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 50.1 ttm -106.23 -45.82 4.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.667 1.229 . . . . 0.0 111.071 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.795 HD11 ' CE2' ' A' ' 10' ' ' TRP . 22.1 tp -57.55 -60.77 3.16 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.428 1.08 . . . . 0.0 109.283 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.428 HD22 ' HA ' ' A' ' 62' ' ' LEU . 0.1 OUTLIER -74.71 -46.91 34.48 Favored 'General case' 0 C--N 1.322 -0.625 0 O-C-N 124.59 1.181 . . . . 0.0 109.371 -179.894 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 100.41 89.11 2.02 Favored Glycine 0 CA--C 1.531 1.079 0 O-C-N 124.438 1.086 . . . . 0.0 110.969 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -140.89 17.39 2.31 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.599 0.823 . . . . 0.0 111.096 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 177.71 -48.69 0.1 OUTLIER Glycine 0 CA--C 1.533 1.173 0 O-C-N 124.493 1.12 . . . . 0.0 111.071 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.9 mm? . . . . . 0 C--N 1.323 -0.58 0 O-C-N 124.628 0.84 . . . . 0.0 109.252 179.974 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo . . . . . 0 N--CA 1.453 -0.877 0 N-CA-C 111.039 -0.408 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -71.36 -43.18 67.4 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.44 1.087 . . . . 0.0 110.317 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' TRP . . . . . 1.537 ' CE2' HD11 ' A' ' 61' ' ' LEU . 79.4 t90 -70.04 -31.56 69.26 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 8.3 mm -70.24 -38.2 73.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 109.314 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 64.3 t90 -68.41 -35.86 78.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 108.06 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 1.535 HD23 ' CE1' ' A' ' 57' ' ' TYR . 1.2 tt -67.16 -46.45 73.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.647 ' HA ' ' CE2' ' A' ' 57' ' ' TYR . . . -61.86 -39.01 90.42 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.454 1.096 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.7 tt -65.41 -40.33 93.24 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.407 1.067 . . . . 0.0 109.294 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.6 -41.83 97.64 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.529 1.143 . . . . 0.0 110.943 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.931 HG23 ' HB3' ' A' ' 57' ' ' TYR . 33.0 m -67.34 -36.82 82.21 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.466 0.745 . . . . 0.0 110.41 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.38 -37.64 77.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 59.8 tp -65.61 -46.46 79.23 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.486 1.116 . . . . 0.0 109.275 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.534 ' HE1' ' O ' ' A' ' 53' ' ' ALA . 78.0 mtp -62.57 -43.38 98.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 111.013 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.21 -43.4 99.16 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.519 1.137 . . . . 0.0 111.012 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.5 tt -63.39 -42.51 98.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 0.769 . . . . 0.0 109.309 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.93 -43.93 97.63 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.581 1.176 . . . . 0.0 111.039 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' THR . . . . . 1.44 ' OG1' ' CB ' ' A' ' 50' ' ' PRO . 33.9 m -64.46 -38.06 89.7 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.614 0.832 . . . . 0.0 110.393 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.1 tt -63.22 -45.11 93.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.564 1.165 . . . . 0.0 109.369 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -64.27 -38.57 91.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 111.04 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.628 ' CZ ' ' C ' ' A' ' 46' ' ' THR . 88.3 t80 -64.6 -36.78 85.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 110.985 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 20.6 mt -68.98 -40.31 78.89 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.473 1.108 . . . . 0.0 109.344 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 24.3 t -63.34 -38.86 83.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 45.2 mttm -70.13 -37.81 75.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -61.95 -46.41 94.15 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.423 1.077 . . . . 0.0 110.998 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 70.8 mtm . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.488 0.757 . . . . 0.0 111.007 179.932 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 44.4 mt -62.45 -43.06 97.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.411 1.069 . . . . 0.0 109.233 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.628 ' C ' ' CZ ' ' A' ' 27' ' ' PHE . 50.4 m -65.88 -24.7 66.92 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 0.0 110.469 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 96.2 m -87.93 -16.74 33.0 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.51 1.131 . . . . 0.0 110.473 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 5.2 mp -102.92 5.29 38.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.67 1.231 . . . . 0.0 109.336 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.559 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 1.1 t -61.25 -49.44 88.08 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.326 1.017 . . . . 0.0 109.375 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 1.44 ' CB ' ' OG1' ' A' ' 24' ' ' THR . 18.6 Cg_endo -74.8 -23.35 14.34 Favored 'Trans proline' 0 C--N 1.358 1.048 0 O-C-N 124.575 1.829 . . . . 0.0 111.157 179.757 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.927 ' HB2' HG21 ' A' ' 24' ' ' THR . . . -70.61 -41.52 72.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 6.2 mm -73.49 -40.62 55.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.562 1.163 . . . . 0.0 109.248 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.534 ' O ' ' HE1' ' A' ' 20' ' ' MET . . . -60.13 -41.94 93.72 Favored 'General case' 0 C--N 1.327 -0.384 0 O-C-N 124.575 1.172 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.691 ' HD1' ' O ' ' A' ' 17' ' ' THR . 76.5 t80 -68.06 -40.15 82.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.444 1.09 . . . . 0.0 110.95 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 53.7 m -61.65 -42.42 98.88 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.509 1.131 . . . . 0.0 110.43 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -67.34 -44.35 79.3 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.553 1.158 . . . . 0.0 111.057 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 1.535 ' CE1' HD23 ' A' ' 13' ' ' LEU . 86.1 t80 -66.33 -29.64 69.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.589 1.18 . . . . 0.0 111.068 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 13.2 tp -78.3 -33.65 49.26 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 124.432 1.082 . . . . 0.0 109.195 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 46.9 t -70.03 -15.3 62.99 Favored 'General case' 0 C--N 1.328 -0.357 0 O-C-N 124.488 1.117 . . . . 0.0 109.992 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' MET . . . . . 1.462 ' CE ' ' CD1' ' A' ' 13' ' ' LEU . 57.7 ttp -101.94 -55.37 2.51 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.453 1.096 . . . . 0.0 110.998 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 1.537 HD11 ' CE2' ' A' ' 10' ' ' TRP . 0.2 OUTLIER -56.89 -61.7 2.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.088 . . . . 0.0 109.437 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.02 -40.38 87.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.114 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 85.49 86.79 0.97 Allowed Glycine 0 CA--C 1.532 1.101 0 O-C-N 124.694 1.247 . . . . 0.0 110.903 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -129.52 6.78 5.25 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.563 0.802 . . . . 0.0 111.074 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 177.1 -50.46 0.1 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.354 1.034 . . . . 0.0 110.966 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 5.2 mp . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.502 0.766 . . . . 0.0 109.322 -179.958 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo . . . . . 0 N--CA 1.453 -0.865 0 N-CA-C 111.099 -0.385 . . . . 0.0 111.099 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -70.2 -36.36 74.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.355 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' TRP . . . . . 0.471 ' O ' HD11 ' A' ' 61' ' ' LEU . 68.6 t90 -72.06 -33.64 68.1 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.526 1.141 . . . . 0.0 108.038 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 8.4 mm -70.47 -38.07 72.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 73.7 t-105 -69.43 -36.58 76.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.605 1.19 . . . . 0.0 107.991 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 1.648 ' CD2' ' HB2' ' A' ' 61' ' ' LEU . 3.6 tt -66.57 -43.63 84.44 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.525 1.14 . . . . 0.0 109.328 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.54 ' HA ' HD22 ' A' ' 61' ' ' LEU . . . -64.56 -38.54 91.38 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.575 1.172 . . . . 0.0 109.248 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.8 tt -65.22 -40.41 94.08 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.548 1.155 . . . . 0.0 109.362 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.04 -42.24 96.8 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.49 1.119 . . . . 0.0 111.006 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.931 HG23 ' HB3' ' A' ' 57' ' ' TYR . 44.1 m -66.41 -36.97 84.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 0.78 . . . . 0.0 110.436 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.67 -37.42 76.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 109.302 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.5 tt -65.59 -45.64 82.46 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.458 1.099 . . . . 0.0 109.33 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.763 ' O ' ' HB2' ' A' ' 50' ' ' PRO . 78.5 mtp -63.99 -42.13 97.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 110.921 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -64.27 -39.5 97.09 Favored Glycine 0 CA--C 1.529 0.91 0 O-C-N 124.523 1.139 . . . . 0.0 111.049 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 31.6 tp -66.74 -41.1 88.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.459 0.74 . . . . 0.0 109.347 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.28 -43.97 97.66 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.545 1.153 . . . . 0.0 111.03 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' THR . . . . . 1.264 ' CA ' ' HG2' ' A' ' 50' ' ' PRO . 58.4 m -65.84 -38.31 88.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.444 0.732 . . . . 0.0 110.36 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 59.6 tp -63.91 -48.34 77.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.592 1.183 . . . . 0.0 109.272 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 35.7 t80 -62.0 -34.92 77.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 111.062 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.598 ' CZ ' ' C ' ' A' ' 46' ' ' THR . 89.1 t80 -67.35 -35.41 79.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.441 1.088 . . . . 0.0 110.99 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 21.0 mt -74.36 -33.08 62.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 109.295 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 11.0 t -61.58 -53.67 45.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.609 1.193 . . . . 0.0 109.296 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.5 ptpp? -71.75 -24.23 61.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.331 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -65.04 -43.83 95.23 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.405 1.065 . . . . 0.0 110.955 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 72.1 mtm . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.453 0.737 . . . . 0.0 111.049 -179.991 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.4 mp -61.62 -41.36 89.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.421 1.075 . . . . 0.0 109.409 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.598 ' C ' ' CZ ' ' A' ' 27' ' ' PHE . 60.7 m -64.41 -28.2 69.52 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.616 1.198 . . . . 0.0 110.414 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.511 ' O ' ' CD2' ' A' ' 27' ' ' PHE . 93.9 m -87.41 -16.97 33.37 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.448 1.093 . . . . 0.0 110.468 179.82 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 21.2 mt -104.5 13.12 32.36 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.3 1.0 . . . . 0.0 109.202 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.56 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 1.0 OUTLIER -60.35 -49.07 92.09 Favored Pre-proline 0 N--CA 1.451 -0.405 0 O-C-N 124.339 1.024 . . . . 0.0 109.249 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 1.264 ' HG2' ' CA ' ' A' ' 24' ' ' THR . 17.8 Cg_endo -75.19 -24.09 12.86 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.415 1.745 . . . . 0.0 110.817 -179.757 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 1.109 ' CB ' HG21 ' A' ' 24' ' ' THR . . . -70.72 -40.11 73.01 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.348 1.03 . . . . 0.0 109.405 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 45.9 mt -73.41 -40.26 56.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.438 1.086 . . . . 0.0 109.342 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.597 ' O ' ' HE1' ' A' ' 20' ' ' MET . . . -61.61 -40.95 96.67 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.637 1.211 . . . . 0.0 109.392 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.647 ' HD1' ' O ' ' A' ' 17' ' ' THR . 82.3 t80 -68.42 -38.5 81.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 111.061 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 41.7 m -60.81 -43.49 98.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 110.252 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 62.2 mtm -68.87 -41.94 77.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.415 1.072 . . . . 0.0 110.873 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 1.051 ' CE1' ' HG ' ' A' ' 13' ' ' LEU . 85.6 t80 -66.02 -29.5 69.88 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 124.426 1.079 . . . . 0.0 111.078 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 9.8 tp -82.85 -31.36 28.07 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.673 1.233 . . . . 0.0 109.347 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 40.6 t -73.45 -13.14 61.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.564 1.165 . . . . 0.0 109.959 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 36.6 ttm -107.52 -56.25 2.24 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.59 1.181 . . . . 0.0 110.901 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 1.648 ' HB2' ' CD2' ' A' ' 13' ' ' LEU . 6.9 tp -55.78 -61.53 2.3 Favored 'General case' 0 C--N 1.321 -0.643 0 O-C-N 124.288 0.993 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.17 -35.64 74.14 Favored 'General case' 0 C--N 1.323 -0.585 0 O-C-N 124.63 1.206 . . . . 0.0 109.331 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 82.36 95.21 0.52 Allowed Glycine 0 CA--C 1.528 0.892 0 O-C-N 124.52 1.137 . . . . 0.0 111.012 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -149.7 23.43 0.89 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.436 0.727 . . . . 0.0 110.836 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 174.84 -51.18 0.13 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.31 1.006 . . . . 0.0 110.974 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 11.3 mt . . . . . 0 C--N 1.322 -0.602 0 O-C-N 124.603 0.825 . . . . 0.0 109.244 -179.988 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo . . . . . 0 N--CA 1.453 -0.856 0 N-CA-C 110.943 -0.445 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -71.54 -33.25 68.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.437 1.086 . . . . 0.0 110.278 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' TRP . . . . . 0.87 ' O ' HD11 ' A' ' 61' ' ' LEU . 69.8 t90 -71.89 -35.46 69.74 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.572 1.17 . . . . 0.0 107.983 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 7.1 mm -70.49 -38.23 72.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.57 1.169 . . . . 0.0 109.295 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 73.5 t-105 -68.28 -36.91 80.11 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 1.049 ' CB ' HD13 ' A' ' 61' ' ' LEU . 3.7 tt -66.63 -43.97 83.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 1.079 ' HB2' HD21 ' A' ' 61' ' ' LEU . . . -63.99 -38.19 90.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.095 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.748 ' N ' ' OH ' ' A' ' 57' ' ' TYR . 3.8 tt -65.68 -40.29 92.2 Favored 'General case' 0 C--N 1.327 -0.373 0 O-C-N 124.547 1.155 . . . . 0.0 109.322 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.85 -40.57 95.59 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.484 1.115 . . . . 0.0 111.015 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' THR . . . . . 1.036 ' N ' ' CZ ' ' A' ' 57' ' ' TYR . 43.6 m -68.01 -35.13 77.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 0.787 . . . . 0.0 110.374 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.29 -35.12 66.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.411 1.069 . . . . 0.0 109.268 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 58.2 tp -66.25 -53.13 40.58 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.743 ' SD ' ' HB1' ' A' ' 53' ' ' ALA . 67.3 mtm -64.11 -37.95 89.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 110.96 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.409 ' HA3' ' CD1' ' A' ' 54' ' ' PHE . . . -63.83 -41.57 98.77 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.484 1.115 . . . . 0.0 110.97 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 63.4 tp -67.84 -39.36 83.86 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.495 0.762 . . . . 0.0 109.254 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -62.92 -42.93 99.58 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.543 1.152 . . . . 0.0 110.976 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.798 HG23 ' HG2' ' A' ' 50' ' ' PRO . 56.1 m -67.83 -38.88 83.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 0.749 . . . . 0.0 110.412 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 16.0 tp -63.38 -45.62 90.27 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.556 1.16 . . . . 0.0 109.27 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 65.3 t80 -64.1 -37.82 88.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 111.029 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.426 ' CZ ' ' N ' ' A' ' 47' ' ' THR . 92.8 t80 -65.01 -38.34 90.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.985 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.759 HD23 HG21 ' A' ' 47' ' ' THR . 21.1 mt -67.98 -43.98 77.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.438 1.087 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 38.0 t -64.21 -35.32 73.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.268 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.5 ttmm -66.89 -41.86 86.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.29 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -64.76 -42.17 97.25 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.379 1.049 . . . . 0.0 110.998 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.476 0.75 . . . . 0.0 111.03 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.35 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 50.2 mt -63.26 -37.51 79.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.394 1.059 . . . . 0.0 109.331 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.411 ' C ' ' CZ ' ' A' ' 27' ' ' PHE . 97.7 m -70.27 -21.53 62.96 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.621 1.2 . . . . 0.0 110.448 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.759 HG21 HD23 ' A' ' 28' ' ' LEU . 87.6 m -91.48 -16.82 26.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.632 1.207 . . . . 0.0 110.453 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.496 HD13 ' CB ' ' A' ' 51' ' ' ALA . 3.6 mm? -101.96 -4.14 26.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.623 1.202 . . . . 0.0 109.453 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.551 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 0.9 OUTLIER -64.7 -49.52 69.35 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.616 1.198 . . . . 0.0 109.316 -179.925 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.798 ' HG2' HG23 ' A' ' 24' ' ' THR . 18.1 Cg_endo -75.11 -18.17 18.71 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.552 1.817 . . . . 0.0 110.964 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.642 ' CA ' HG21 ' A' ' 24' ' ' THR . . . -72.97 -46.39 52.57 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 124.546 1.153 . . . . 0.0 109.248 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.5 mp -72.12 -36.84 57.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.384 1.052 . . . . 0.0 109.246 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.743 ' HB1' ' SD ' ' A' ' 20' ' ' MET . . . -62.12 -44.53 96.44 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.397 1.06 . . . . 0.0 109.286 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.821 ' HD1' ' O ' ' A' ' 17' ' ' THR . 88.7 t80 -66.73 -39.48 87.98 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.441 1.088 . . . . 0.0 110.992 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 73.9 m -62.34 -41.49 98.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.417 1.073 . . . . 0.0 110.509 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -69.85 -38.73 76.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.595 1.184 . . . . 0.0 111.045 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 1.055 ' OH ' ' C ' ' A' ' 14' ' ' ALA . 86.1 t80 -64.87 -32.0 73.5 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.009 -0.996 . . . . 0.0 110.923 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -82.9 -31.41 27.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.39 1.056 . . . . 0.0 109.439 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 39.3 t -75.72 -7.98 55.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.415 1.072 . . . . 0.0 109.946 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 26.2 ttt -110.94 -51.25 2.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.57 1.168 . . . . 0.0 111.063 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 1.079 HD21 ' HB2' ' A' ' 14' ' ' ALA . 55.8 tp -54.58 -65.25 0.61 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.404 1.065 . . . . 0.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.9 tp -73.89 -31.96 63.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.555 1.16 . . . . 0.0 109.337 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 80.6 88.57 0.56 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.513 1.133 . . . . 0.0 111.071 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -136.7 16.97 3.09 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.385 0.697 . . . . 0.0 111.029 -179.797 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -177.67 -55.15 0.07 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.476 1.11 . . . . 0.0 111.127 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.628 0.84 . . . . 0.0 109.366 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_endo . . . . . 0 N--CA 1.452 -0.914 0 N-CA-C 111.005 -0.421 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -69.5 -34.32 74.14 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.495 1.122 . . . . 0.0 110.225 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 72.7 t90 -73.69 -32.86 64.15 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 8.5 mm -71.29 -37.73 66.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.277 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 76.1 t-105 -69.96 -36.89 75.61 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.495 1.122 . . . . 0.0 108.029 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 1.552 HD22 ' CD2' ' A' ' 61' ' ' LEU . 3.7 tt -66.38 -43.51 85.71 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.506 1.129 . . . . 0.0 109.347 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.62 -38.68 91.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.428 1.08 . . . . 0.0 109.28 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.9 tt -65.1 -40.62 94.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.439 1.087 . . . . 0.0 109.246 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.01 -42.47 96.74 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.391 1.057 . . . . 0.0 111.009 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.944 HG23 ' HB3' ' A' ' 57' ' ' TYR . 41.3 m -66.22 -37.0 84.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.434 0.726 . . . . 0.0 110.372 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.84 -37.49 76.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.158 . . . . 0.0 109.278 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.5 tt -65.52 -45.58 82.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.198 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.669 ' O ' ' HB2' ' A' ' 50' ' ' PRO . 78.6 mtp -64.28 -42.15 96.56 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.478 1.111 . . . . 0.0 111.015 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -63.9 -39.6 97.5 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.463 1.102 . . . . 0.0 110.949 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 60.5 tp -67.6 -39.96 84.76 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.457 0.74 . . . . 0.0 109.299 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.64 -42.93 98.58 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.481 1.113 . . . . 0.0 111.006 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' THR . . . . . 1.176 ' CA ' ' HG2' ' A' ' 50' ' ' PRO . 45.1 m -67.27 -39.86 86.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 0.773 . . . . 0.0 110.416 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 59.0 tp -63.01 -45.82 90.57 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.416 1.072 . . . . 0.0 109.345 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 69.1 t80 -63.59 -37.13 86.16 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.456 1.097 . . . . 0.0 111.032 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.496 ' CZ ' ' C ' ' A' ' 46' ' ' THR . 88.2 t80 -66.77 -33.92 76.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.576 1.173 . . . . 0.0 111.028 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 22.2 mt -73.96 -42.32 60.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.565 1.165 . . . . 0.0 109.307 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 23.8 t -62.17 -44.68 99.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.516 1.135 . . . . 0.0 109.273 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.9 mmmm -73.06 -28.1 62.12 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -62.83 -62.08 5.85 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.508 1.13 . . . . 0.0 110.966 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 18.2 ptp . . . . . 0 C--N 1.326 -0.438 0 O-C-N 124.462 0.742 . . . . 0.0 111.103 179.978 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 47.7 mt -62.6 -41.91 93.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 O-C-N 124.482 1.114 . . . . 0.0 109.24 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.496 ' C ' ' CZ ' ' A' ' 27' ' ' PHE . 96.7 m -65.44 -26.78 68.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.587 1.18 . . . . 0.0 110.421 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 93.8 m -87.8 -16.45 34.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.534 1.146 . . . . 0.0 110.486 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 24.8 mt -104.46 10.39 35.24 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.664 1.227 . . . . 0.0 109.285 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.562 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 1.0 OUTLIER -60.93 -49.24 89.99 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.565 1.166 . . . . 0.0 109.18 -179.936 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 1.176 ' HG2' ' CA ' ' A' ' 24' ' ' THR . 18.3 Cg_endo -74.95 -23.75 13.6 Favored 'Trans proline' 0 C--N 1.358 1.049 0 O-C-N 124.541 1.811 . . . . 0.0 110.99 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 1.045 ' CB ' HG21 ' A' ' 24' ' ' THR . . . -70.64 -40.82 72.86 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 6.1 mm -73.81 -38.7 51.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.084 . . . . 0.0 109.333 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.475 ' O ' ' HE1' ' A' ' 20' ' ' MET . . . -62.17 -41.9 98.75 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.575 1.172 . . . . 0.0 109.133 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.784 ' HD1' ' O ' ' A' ' 17' ' ' THR . 86.7 t80 -68.37 -39.55 81.73 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.438 1.086 . . . . 0.0 111.092 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 54.2 m -62.28 -43.02 99.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.415 1.072 . . . . 0.0 110.32 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 81.7 mtp -68.04 -43.58 78.39 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.488 1.118 . . . . 0.0 110.842 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.972 ' CE1' ' HG ' ' A' ' 13' ' ' LEU . 78.1 t80 -62.65 -36.46 82.91 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.672 1.233 . . . . 0.0 111.039 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 8.1 tp -74.92 -34.76 62.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.585 1.178 . . . . 0.0 109.329 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 47.3 t -74.36 -6.86 50.55 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 0.0 110.016 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 49.3 ttm -107.25 -41.53 5.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.584 1.177 . . . . 0.0 111.04 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 1.552 ' CD2' HD22 ' A' ' 13' ' ' LEU . 0.2 OUTLIER -61.12 -64.45 0.95 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.605 1.19 . . . . 0.0 109.366 -179.929 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 9.8 mt -74.27 -34.9 63.71 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.385 1.053 . . . . 0.0 109.19 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 88.08 95.0 0.98 Allowed Glycine 0 CA--C 1.533 1.167 0 O-C-N 124.296 0.997 . . . . 0.0 110.986 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -144.01 19.66 1.78 Allowed 'General case' 0 C--N 1.322 -0.599 0 O-C-N 124.527 0.781 . . . . 0.0 111.061 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 172.78 -49.55 0.17 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.54 1.15 . . . . 0.0 110.995 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.8 mm? . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.539 0.788 . . . . 0.0 109.283 -179.978 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo . . . . . 0 N--CA 1.452 -0.949 0 N-CA-C 111.018 -0.416 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -71.27 -34.54 70.8 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.52 1.137 . . . . 0.0 110.34 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' TRP . . . . . 1.434 ' CD1' ' CD1' ' A' ' 61' ' ' LEU . 71.2 t90 -71.16 -35.41 71.64 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 107.967 -1.124 . . . . 0.0 107.967 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 7.4 mm -70.98 -37.8 69.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 62.9 t90 -68.15 -37.83 81.48 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.918 -1.142 . . . . 0.0 107.918 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 1.644 ' CB ' HD23 ' A' ' 61' ' ' LEU . 3.5 tt -66.85 -43.3 84.0 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.58 -38.61 91.78 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.5 tp -65.34 -41.4 93.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.574 1.171 . . . . 0.0 109.383 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.03 -40.44 97.08 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.534 1.146 . . . . 0.0 111.031 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' THR . . . . . 1.497 ' OG1' ' CD1' ' A' ' 57' ' ' TYR . 44.2 m -68.2 -35.54 78.15 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.423 0.72 . . . . 0.0 110.297 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.68 -34.08 66.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.268 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 57.9 tp -67.25 -52.38 41.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 109.301 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.958 ' SD ' ' HB1' ' A' ' 53' ' ' ALA . 65.5 mtm -65.32 -33.9 77.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 111.061 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.571 ' HA3' ' CD1' ' A' ' 54' ' ' PHE . . . -67.75 -41.85 88.15 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.594 1.184 . . . . 0.0 111.048 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 62.7 tp -68.3 -40.87 81.59 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.564 0.802 . . . . 0.0 109.282 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.56 -39.24 97.41 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.462 1.101 . . . . 0.0 111.001 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' THR . . . . . 1.373 ' OG1' ' CB ' ' A' ' 50' ' ' PRO . 92.7 m -69.82 -39.98 76.18 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.453 0.737 . . . . 0.0 110.43 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.7 tt -64.12 -43.46 95.22 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 124.429 1.08 . . . . 0.0 109.352 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 81.4 t80 -65.22 -37.23 86.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 111.03 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 1.045 ' HD2' HG23 ' A' ' 47' ' ' THR . 92.1 t80 -66.3 -36.38 82.81 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.363 1.04 . . . . 0.0 111.075 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.888 HD23 HG21 ' A' ' 47' ' ' THR . 21.8 mt -70.57 -44.16 67.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.541 1.15 . . . . 0.0 109.3 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 33.6 t -64.25 -36.82 78.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 0.0 109.36 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -71.33 -35.12 71.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -67.69 -38.38 89.87 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.496 1.123 . . . . 0.0 111.135 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.499 0.764 . . . . 0.0 111.008 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.239 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 44.9 mt -63.91 -39.21 84.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 O-C-N 124.612 1.195 . . . . 0.0 109.25 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.482 ' C ' ' CZ ' ' A' ' 27' ' ' PHE . 48.9 m -70.35 -18.82 63.08 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.661 1.226 . . . . 0.0 110.459 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' THR . . . . . 1.045 HG23 ' HD2' ' A' ' 27' ' ' PHE . 97.6 m -93.67 -17.3 23.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 110.334 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.526 HD13 ' HB3' ' A' ' 51' ' ' ALA . 3.5 mm? -101.86 -6.94 22.94 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.144 . . . . 0.0 109.33 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.548 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 0.9 OUTLIER -63.47 -49.49 77.98 Favored Pre-proline 0 N--CA 1.452 -0.362 0 O-C-N 124.513 1.133 . . . . 0.0 109.413 -179.932 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 1.373 ' CB ' ' OG1' ' A' ' 24' ' ' THR . 18.6 Cg_endo -74.99 -21.06 16.28 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.327 1.698 . . . . 0.0 111.064 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.773 ' CA ' HG21 ' A' ' 24' ' ' THR . . . -73.07 -41.5 64.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.601 1.188 . . . . 0.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 49.9 mt -72.31 -37.28 57.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 O-C-N 124.41 1.069 . . . . 0.0 109.37 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.958 ' HB1' ' SD ' ' A' ' 20' ' ' MET . . . -64.05 -42.7 96.93 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.417 1.073 . . . . 0.0 109.348 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.98 ' CD1' ' O ' ' A' ' 17' ' ' THR . 50.6 t80 -66.51 -37.81 85.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.133 . . . . 0.0 111.103 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 94.6 m -67.23 -42.42 84.05 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.56 1.162 . . . . 0.0 110.377 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 79.0 mtp -67.2 -37.42 83.61 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.547 1.154 . . . . 0.0 111.088 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 1.497 ' CD1' ' OG1' ' A' ' 17' ' ' THR . 27.4 t80 -61.1 -39.07 88.57 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.549 1.156 . . . . 0.0 111.027 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 1.041 ' HG ' HG21 ' A' ' 17' ' ' THR . 20.5 mt -77.48 -30.61 53.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.611 1.194 . . . . 0.0 109.208 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 22.7 t -75.13 -6.8 51.5 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.442 1.089 . . . . 0.0 109.929 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' MET . . . . . 1.298 ' CE ' ' CD1' ' A' ' 13' ' ' LEU . 49.6 ttp -110.03 -50.76 2.94 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.499 1.124 . . . . 0.0 110.963 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 1.644 HD23 ' CB ' ' A' ' 13' ' ' LEU . 0.2 OUTLIER -57.4 -61.96 2.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.306 1.004 . . . . 0.0 109.29 -179.89 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.5 mt -74.26 -33.44 63.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.356 1.035 . . . . 0.0 109.226 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 79.76 91.86 0.42 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.363 1.04 . . . . 0.0 111.032 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -143.06 18.99 1.94 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 0.752 . . . . 0.0 111.015 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 176.57 -53.03 0.11 Allowed Glycine 0 CA--C 1.532 1.141 0 CA-C-N 114.868 -1.06 . . . . 0.0 110.938 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.323 -0.572 0 O-C-N 124.623 0.837 . . . . 0.0 109.28 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 56.4 mm-40 -74.6 -54.32 7.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 110.367 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 32.0 mm -98.19 76.6 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.447 1.092 . . . . 0.0 109.257 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 12.7 t -77.02 -19.31 57.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.6 1.188 . . . . 0.0 110.4 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -55.39 -52.1 49.99 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.513 1.133 . . . . 0.0 111.044 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -98.13 122.36 54.47 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.535 0.785 . . . . 0.0 110.273 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -71.74 -18.93 28.18 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.525 1.802 . . . . 0.0 111.132 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -69.04 -38.01 78.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.57 1.169 . . . . 0.0 110.358 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.931 ' CE2' HD11 ' A' ' 61' ' ' LEU . 69.0 t90 -69.04 -35.25 76.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.58 1.175 . . . . 0.0 108.026 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 8.2 mm -69.4 -36.87 73.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.579 1.174 . . . . 0.0 109.257 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 75.5 t-105 -68.25 -35.27 77.65 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.547 1.155 . . . . 0.0 107.99 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 1.565 HD23 ' CD1' ' A' ' 57' ' ' TYR . 1.3 tt -67.53 -47.19 70.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.269 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.98 -38.11 87.35 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 0.0 109.187 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.8 tt -65.59 -41.08 93.23 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.506 1.129 . . . . 0.0 109.345 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.51 -40.8 97.96 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.529 1.143 . . . . 0.0 111.008 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.785 HG23 ' HB3' ' A' ' 57' ' ' TYR . 32.2 m -67.95 -37.08 81.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 0.763 . . . . 0.0 110.42 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.17 -35.82 74.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.442 1.089 . . . . 0.0 109.349 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.5 tt -66.7 -46.43 75.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.616 1.197 . . . . 0.0 109.317 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.896 ' O ' ' HB2' ' A' ' 50' ' ' PRO . 62.8 mmm -64.81 -39.57 93.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 111.036 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -66.76 -38.98 93.49 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.437 1.086 . . . . 0.0 110.96 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 64.5 tp -66.16 -46.25 78.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 0.775 . . . . 0.0 109.307 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -62.4 -39.12 97.37 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.525 1.14 . . . . 0.0 110.981 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' THR . . . . . 1.315 ' CA ' ' HG2' ' A' ' 50' ' ' PRO . 87.3 m -67.93 -34.9 77.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.435 0.727 . . . . 0.0 110.359 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.5 tt -62.61 -49.51 74.93 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -62.59 -37.18 85.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.575 1.172 . . . . 0.0 110.987 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 1.145 ' CD2' ' O ' ' A' ' 47' ' ' THR . 85.7 t80 -65.34 -35.06 79.82 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.136 . . . . 0.0 111.015 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.541 HD21 ' CD1' ' A' ' 48' ' ' LEU . 25.7 mt -72.76 -40.18 66.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.38 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 28.7 t -64.56 -41.6 92.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 53.8 mttp -72.75 -30.57 64.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -66.71 -45.46 84.14 Favored Glycine 0 CA--C 1.528 0.902 0 O-C-N 124.427 1.08 . . . . 0.0 110.962 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 72.1 mtm -76.98 -29.5 55.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 0.765 . . . . 0.0 111.001 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.459 ' O ' ' C ' ' A' ' 34' ' ' VAL . . . -71.51 -39.42 61.08 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.518 1.136 . . . . 0.0 110.979 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.472 HG22 ' O ' ' A' ' 34' ' ' VAL . 7.1 p . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.426 0.721 . . . . 0.0 109.342 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.887 0 N-CA-C 111.013 -0.418 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -83.01 -15.19 52.14 Favored 'General case' 0 N--CA 1.451 -0.418 0 O-C-N 124.515 1.135 . . . . 0.0 109.257 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.75 -27.82 67.91 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.56 1.163 . . . . 0.0 109.319 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 48.5 mtmt -69.22 -41.48 76.99 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.608 1.192 . . . . 0.0 109.227 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 5.3 mtmp? -68.57 -44.06 75.23 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.434 1.084 . . . . 0.0 109.235 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 83.6 t80 -59.97 -41.77 92.69 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 124.451 1.095 . . . . 0.0 111.085 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 83.0 t80 -68.56 -40.15 80.73 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.599 1.187 . . . . 0.0 110.945 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.67 -44.94 96.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.336 1.022 . . . . 0.0 109.288 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 6.7 mm -64.47 -42.36 95.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.5 1.125 . . . . 0.0 109.245 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' THR . . . . . 1.057 ' C ' ' CZ ' ' A' ' 27' ' ' PHE . 64.0 m -60.81 -29.94 69.77 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.442 1.089 . . . . 0.0 110.447 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' THR . . . . . 1.145 ' O ' ' CD2' ' A' ' 27' ' ' PHE . 59.1 m -85.95 -21.8 27.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.474 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.541 ' CD1' HD21 ' A' ' 28' ' ' LEU . 6.5 mp -102.61 19.07 19.78 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.643 1.214 . . . . 0.0 109.207 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.56 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 1.0 OUTLIER -60.35 -49.18 91.63 Favored Pre-proline 0 C--N 1.324 -0.54 0 O-C-N 124.515 1.134 . . . . 0.0 109.259 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 1.315 ' HG2' ' CA ' ' A' ' 24' ' ' THR . 18.4 Cg_endo -74.94 -24.29 13.09 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.36 1.716 . . . . 0.0 111.007 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 1.059 ' CA ' HG21 ' A' ' 24' ' ' THR . . . -69.78 -42.1 74.23 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.461 1.101 . . . . 0.0 109.299 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 46.4 mt -72.98 -39.31 57.73 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.442 0 O-C-N 124.389 1.056 . . . . 0.0 109.362 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.64 -40.66 92.79 Favored 'General case' 0 N--CA 1.45 -0.451 0 O-C-N 124.431 1.082 . . . . 0.0 109.334 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.723 ' CD1' HG22 ' A' ' 17' ' ' THR . 83.9 t80 -67.8 -41.75 82.68 Favored 'General case' 0 N--CA 1.449 -0.516 0 O-C-N 124.64 1.212 . . . . 0.0 111.081 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 85.3 m -61.76 -39.8 92.9 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.452 1.095 . . . . 0.0 110.429 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 81.9 mtp -69.45 -39.19 77.93 Favored 'General case' 0 C--N 1.327 -0.378 0 O-C-N 124.547 1.155 . . . . 0.0 111.131 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 1.565 ' CD1' HD23 ' A' ' 13' ' ' LEU . 67.6 t80 -72.11 -28.33 63.21 Favored 'General case' 0 C--N 1.322 -0.602 0 O-C-N 124.541 1.15 . . . . 0.0 110.931 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 8.8 tp -78.15 -41.27 35.36 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.413 1.071 . . . . 0.0 109.373 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 92.9 p -60.72 -25.69 66.62 Favored 'General case' 0 N--CA 1.45 -0.468 0 O-C-N 124.396 1.06 . . . . 0.0 110.091 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' MET . . . . . 1.45 ' CE ' HD11 ' A' ' 13' ' ' LEU . 54.4 ttp -92.8 -43.74 8.86 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.56 1.162 . . . . 0.0 111.106 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.931 HD11 ' CE2' ' A' ' 10' ' ' TRP . 30.4 tp -58.29 -60.26 4.04 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.478 1.111 . . . . 0.0 109.47 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 10.3 mp -70.5 -34.1 71.97 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 73.78 43.66 34.42 Favored Glycine 0 CA--C 1.533 1.163 0 O-C-N 124.488 1.118 . . . . 0.0 110.94 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 6.1 p90 -109.49 -17.5 13.74 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.699 0.882 . . . . 0.0 110.867 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -127.12 5.11 7.32 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.524 1.14 . . . . 0.0 110.993 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -122.23 -59.51 1.64 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.539 0.787 . . . . 0.0 109.382 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 36.7 m -65.23 -40.73 94.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.67 1.231 . . . . 0.0 110.371 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 58.0 mtt -71.14 -51.91 22.31 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.595 1.184 . . . . 0.0 110.995 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 15.4 m -136.0 153.27 76.8 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.614 1.197 . . . . 0.0 109.247 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo . . . . . 0 C--N 1.361 1.221 0 O-C-N 124.434 1.755 . . . . 0.0 110.845 -179.853 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 1.135 ' CD ' ' O ' ' A' ' 62' ' ' LEU . 44.6 mt-30 -101.9 75.2 1.52 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.522 1.139 . . . . 0.0 110.246 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 14.6 mm -97.21 147.33 6.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.144 . . . . 0.0 109.313 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.3 t -101.3 37.14 1.84 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.558 1.161 . . . . 0.0 110.45 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -107.64 -72.47 0.78 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.587 1.18 . . . . 0.0 110.99 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 5.1 ptt-85 -48.58 143.28 7.86 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.447 0.734 . . . . 0.0 110.288 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -74.01 -16.51 22.85 Favored 'Trans proline' 0 C--N 1.361 1.22 0 O-C-N 124.479 1.779 . . . . 0.0 111.063 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.91 -37.03 81.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.399 1.062 . . . . 0.0 110.331 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.639 ' CG ' HD11 ' A' ' 61' ' ' LEU . 86.7 t90 -72.9 -32.87 65.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.616 1.198 . . . . 0.0 108.026 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 8.3 mm -70.58 -37.14 68.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.575 1.172 . . . . 0.0 109.365 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 53.9 t90 -70.2 -37.54 75.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.597 1.186 . . . . 0.0 108.067 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 1.228 HD23 ' CB ' ' A' ' 61' ' ' LEU . 10.4 tp -66.28 -43.82 85.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.088 . . . . 0.0 109.329 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.849 ' HB2' HD21 ' A' ' 61' ' ' LEU . . . -63.87 -40.08 95.7 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.573 1.17 . . . . 0.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 59.8 tp -64.31 -40.23 95.52 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.606 1.191 . . . . 0.0 109.309 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.76 -42.8 96.96 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.53 1.144 . . . . 0.0 111.008 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' THR . . . . . 1.056 HG21 ' HG ' ' A' ' 58' ' ' LEU . 37.1 m -66.61 -36.04 81.64 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.464 0.743 . . . . 0.0 110.421 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.06 -37.77 75.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.337 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.3 tt -65.57 -45.76 82.06 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.536 1.148 . . . . 0.0 109.322 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' MET . . . . . 1.506 ' CE ' ' CB ' ' A' ' 53' ' ' ALA . 79.3 mtp -64.31 -41.51 96.81 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 110.938 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.555 ' HA3' ' CD1' ' A' ' 54' ' ' PHE . . . -64.32 -39.91 97.4 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.441 1.088 . . . . 0.0 111.007 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 61.5 tp -67.66 -39.34 84.56 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.532 0.784 . . . . 0.0 109.371 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.84 -42.69 98.37 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.494 1.121 . . . . 0.0 110.983 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' THR . . . . . 1.214 ' OG1' ' CB ' ' A' ' 50' ' ' PRO . 43.7 m -67.66 -40.3 84.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 0.784 . . . . 0.0 110.45 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.7 tt -62.64 -45.5 92.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.363 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -63.88 -37.54 87.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 110.966 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 1.243 ' CD2' HG23 ' A' ' 47' ' ' THR . 88.6 t80 -66.51 -33.88 76.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.542 1.151 . . . . 0.0 111.053 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.822 HD23 HG21 ' A' ' 47' ' ' THR . 22.7 mt -74.65 -41.94 59.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.313 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 17.3 t -61.84 -45.04 99.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.113 . . . . 0.0 109.314 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.8 mmmm -71.94 -33.46 68.24 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.445 1.091 . . . . 0.0 109.337 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.37 -45.29 96.44 Favored Glycine 0 CA--C 1.532 1.146 0 O-C-N 124.42 1.075 . . . . 0.0 110.916 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 70.6 mtm -76.61 -32.67 58.22 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.553 0.796 . . . . 0.0 111.024 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.431 ' O ' ' C ' ' A' ' 34' ' ' VAL . . . 112.51 76.93 0.81 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.591 1.182 . . . . 0.0 111.027 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.489 HG22 ' O ' ' A' ' 34' ' ' VAL . 7.6 p . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.529 0.782 . . . . 0.0 109.291 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.884 0 N-CA-C 111.011 -0.419 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -178.59 -42.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.16 -38.81 89.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.303 1.002 . . . . 0.0 109.258 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 64.2 mttm -69.82 -42.05 74.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.389 1.056 . . . . 0.0 109.21 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 5.0 mtmp? -62.7 -44.26 96.7 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.621 1.2 . . . . 0.0 109.296 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 81.6 t80 -61.72 -45.88 92.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.434 1.084 . . . . 0.0 110.967 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 85.0 t80 -62.32 -38.33 89.0 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.604 1.19 . . . . 0.0 111.04 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.87 -46.7 89.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.624 1.202 . . . . 0.0 109.234 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.4 mp -63.76 -38.33 82.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 O-C-N 124.51 1.131 . . . . 0.0 109.266 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 37.8 m -69.58 -19.79 63.66 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.453 1.096 . . . . 0.0 110.556 179.776 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' THR . . . . . 1.243 HG23 ' CD2' ' A' ' 27' ' ' PHE . 96.0 m -93.74 -16.98 23.66 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.529 1.143 . . . . 0.0 110.432 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.517 HD13 ' HB3' ' A' ' 51' ' ' ALA . 3.5 mm? -101.46 -6.44 23.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.579 1.175 . . . . 0.0 109.348 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.541 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 0.9 OUTLIER -63.95 -49.87 72.72 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.428 1.08 . . . . 0.0 109.371 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 1.214 ' CB ' ' OG1' ' A' ' 24' ' ' THR . 18.3 Cg_endo -74.98 -22.14 15.16 Favored 'Trans proline' 0 C--N 1.361 1.224 0 O-C-N 124.577 1.83 . . . . 0.0 110.953 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.823 ' CA ' HG21 ' A' ' 24' ' ' THR . . . -71.18 -44.3 65.74 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.684 1.24 . . . . 0.0 109.266 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 6.1 mm -70.51 -37.9 71.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 109.345 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 1.506 ' CB ' ' CE ' ' A' ' 20' ' ' MET . . . -62.1 -41.09 97.87 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.242 0.964 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.917 ' CD1' ' O ' ' A' ' 17' ' ' THR . 48.2 t80 -66.31 -41.36 89.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.329 1.018 . . . . 0.0 110.943 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 57.3 m -65.26 -39.6 92.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.342 1.026 . . . . 0.0 110.234 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 76.1 mtp -69.6 -37.17 76.8 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.466 1.103 . . . . 0.0 110.951 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.873 ' CZ ' ' N ' ' A' ' 17' ' ' THR . 40.0 t80 -62.79 -33.9 76.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.432 1.083 . . . . 0.0 111.154 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 1.056 ' HG ' HG21 ' A' ' 17' ' ' THR . 18.3 mt -83.07 -30.64 27.84 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.444 1.09 . . . . 0.0 109.286 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 42.7 t -72.48 -10.81 60.25 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.568 1.167 . . . . 0.0 110.008 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 23.7 ttt -110.99 -50.15 2.97 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 0.0 110.996 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 1.228 ' CB ' HD23 ' A' ' 13' ' ' LEU . 44.5 tp -54.22 -62.92 1.34 Allowed 'General case' 0 C--N 1.327 -0.399 0 O-C-N 124.464 1.102 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 1.135 ' O ' ' CD ' ' A' ' 3' ' ' GLN . 9.0 mt -75.85 -31.66 59.42 Favored 'General case' 0 C--N 1.322 -0.61 0 O-C-N 124.679 1.237 . . . . 0.0 109.441 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 79.75 91.95 0.41 Allowed Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.546 1.154 . . . . 0.0 110.932 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -146.16 22.81 1.36 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.422 0.719 . . . . 0.0 110.984 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -176.0 -53.95 0.06 OUTLIER Glycine 0 CA--C 1.532 1.105 0 O-C-N 124.449 1.093 . . . . 0.0 111.101 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 10.2 mt -73.03 -22.94 60.56 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.761 0.918 . . . . 0.0 109.217 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 5.1 t -85.04 -20.25 30.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 110.453 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 26.2 mmt -79.51 -38.67 33.8 Favored 'General case' 0 N--CA 1.451 -0.399 0 O-C-N 124.431 1.082 . . . . 0.0 111.052 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 4.4 m -98.45 153.25 38.08 Favored Pre-proline 0 C--N 1.324 -0.534 0 O-C-N 124.491 1.119 . . . . 0.0 109.375 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.359 1.095 0 O-C-N 124.491 1.785 . . . . 0.0 110.99 -179.991 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.232 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 9.2 tp-100 -149.02 131.85 16.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.435 1.085 . . . . 0.0 110.288 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 39.4 mm -85.9 95.72 4.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.9 t -147.17 33.13 0.9 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.522 1.139 . . . . 0.0 110.371 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -174.45 178.85 46.12 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.407 1.067 . . . . 0.0 110.973 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 80.8 mtt85 -72.89 166.78 40.08 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.497 0.763 . . . . 0.0 110.255 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -56.02 -33.26 89.02 Favored 'Trans proline' 0 C--N 1.361 1.223 0 O-C-N 124.486 1.782 . . . . 0.0 110.985 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -71.59 -37.4 71.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.282 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.492 ' CD2' HD11 ' A' ' 61' ' ' LEU . 85.3 t90 -69.21 -34.92 75.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 107.992 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 7.7 mm -70.52 -38.6 74.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.088 . . . . 0.0 109.299 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 73.9 t-105 -68.2 -34.78 76.9 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 1.363 ' CD1' ' CE ' ' A' ' 60' ' ' MET . 12.1 tp -67.31 -45.87 75.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.27 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.867 ' HA ' HD22 ' A' ' 61' ' ' LEU . . . -63.51 -37.53 87.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.263 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.6 tt -65.89 -40.94 92.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.413 1.071 . . . . 0.0 109.374 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.17 -40.22 96.67 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.459 1.1 . . . . 0.0 110.94 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' THR . . . . . 1.045 ' N ' ' CZ ' ' A' ' 57' ' ' TYR . 41.3 m -68.02 -35.18 77.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 0.796 . . . . 0.0 110.399 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.27 -34.46 65.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.427 1.079 . . . . 0.0 109.341 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 11.9 tp -66.58 -53.12 37.97 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.453 1.095 . . . . 0.0 109.326 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.929 ' SD ' ' HB1' ' A' ' 53' ' ' ALA . 69.3 mtm -64.4 -36.99 85.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 111.003 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -64.41 -41.97 97.83 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.485 1.116 . . . . 0.0 111.047 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 63.2 tp -67.85 -38.99 83.84 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.47 0.747 . . . . 0.0 109.335 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -62.85 -44.53 97.31 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.485 1.116 . . . . 0.0 111.002 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' THR . . . . . 1.442 ' OG1' ' CB ' ' A' ' 50' ' ' PRO . 52.8 m -66.81 -39.33 87.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.4 0.706 . . . . 0.0 110.427 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.4 tt -62.24 -46.84 87.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.575 1.172 . . . . 0.0 109.32 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 69.2 t80 -64.0 -35.98 82.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.102 . . . . 0.0 110.95 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 1.283 ' HD2' ' CG2' ' A' ' 47' ' ' THR . 76.8 t80 -66.72 -32.0 73.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 110.971 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.885 HD23 HG21 ' A' ' 47' ' ' THR . 21.9 mt -79.13 -37.26 39.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 9.5 t -60.74 -49.14 85.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 109.255 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.8 pttp -78.64 -24.92 44.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.4 -42.0 95.5 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.538 1.149 . . . . 0.0 110.981 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 63.7 mtm -60.62 -41.99 95.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.563 0.802 . . . . 0.0 111.042 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.454 ' O ' ' C ' ' A' ' 34' ' ' VAL . . . 153.14 69.17 0.01 OUTLIER Glycine 0 CA--C 1.528 0.904 0 O-C-N 124.433 1.083 . . . . 0.0 110.978 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.482 HG22 ' O ' ' A' ' 34' ' ' VAL . 7.6 p . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.412 0.713 . . . . 0.0 109.298 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo . . . . . 0 N--CA 1.453 -0.894 0 N-CA-C 111.035 -0.41 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -68.83 -33.58 74.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.664 1.228 . . . . 0.0 109.404 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -71.55 -36.45 70.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.589 1.181 . . . . 0.0 109.25 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 59.1 mtpt -69.45 -38.74 77.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 109.323 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 57.0 mtpt -67.68 -43.69 79.57 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.494 1.121 . . . . 0.0 109.28 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -62.72 -42.06 99.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.399 1.062 . . . . 0.0 111.028 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 85.4 t80 -66.16 -40.61 90.68 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.518 1.136 . . . . 0.0 111.049 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.28 -45.78 91.74 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 109.172 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 6.0 mm -62.84 -38.45 81.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.647 ' HB ' ' HZ ' ' A' ' 27' ' ' PHE . 98.8 m -68.99 -26.11 64.86 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.388 1.055 . . . . 0.0 110.329 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' THR . . . . . 1.283 ' CG2' ' HD2' ' A' ' 27' ' ' PHE . 55.8 m -92.24 -7.92 46.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.142 . . . . 0.0 110.476 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.1 tp -102.59 -7.3 21.93 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.491 1.119 . . . . 0.0 109.253 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.551 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 1.3 t -64.89 -49.45 68.43 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.335 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 1.442 ' CB ' ' OG1' ' A' ' 24' ' ' THR . 18.3 Cg_endo -75.11 -17.81 19.01 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.44 1.758 . . . . 0.0 111.004 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.63 -43.48 69.14 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.642 1.214 . . . . 0.0 109.336 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.4 mp -74.4 -37.82 45.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 109.28 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.929 ' HB1' ' SD ' ' A' ' 20' ' ' MET . . . -61.31 -42.62 98.97 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.446 1.091 . . . . 0.0 109.284 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.523 ' HD1' ' O ' ' A' ' 17' ' ' THR . 83.5 t80 -68.22 -41.44 81.29 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.517 1.136 . . . . 0.0 111.029 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 59.3 m -59.78 -41.81 91.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 110.397 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 83.6 mtp -69.4 -41.31 76.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.564 1.165 . . . . 0.0 111.059 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 1.045 ' CZ ' ' N ' ' A' ' 17' ' ' THR . 76.3 t80 -63.65 -31.76 73.03 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.633 1.208 . . . . 0.0 111.122 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.544 ' CD2' HG21 ' A' ' 17' ' ' THR . 0.1 OUTLIER -81.65 -33.75 31.19 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.609 1.193 . . . . 0.0 109.211 -179.957 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 39.0 t -73.54 -8.26 55.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.346 1.029 . . . . 0.0 109.97 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' MET . . . . . 1.363 ' CE ' ' CD1' ' A' ' 13' ' ' LEU . 50.5 ttp -110.46 -43.72 3.83 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.532 1.145 . . . . 0.0 111.039 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 1.014 ' HA ' HD23 ' A' ' 13' ' ' LEU . 55.9 tp -56.99 -65.68 0.58 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.566 1.166 . . . . 0.0 109.422 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.8 tp -74.61 -39.09 62.38 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.385 1.053 . . . . 0.0 109.19 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 89.98 86.89 1.32 Allowed Glycine 0 CA--C 1.532 1.096 0 O-C-N 124.423 1.077 . . . . 0.0 111.022 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -113.17 -9.75 13.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.609 0.829 . . . . 0.0 110.984 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -177.8 -43.49 0.07 OUTLIER Glycine 0 CA--C 1.528 0.9 0 O-C-N 124.504 1.127 . . . . 0.0 111.088 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.12 -48.05 81.4 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.461 0.742 . . . . 0.0 109.343 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 58.6 m -86.9 -35.42 18.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.562 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 25.0 mmt -86.18 77.87 9.48 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.562 1.164 . . . . 0.0 110.969 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 5.1 m -95.48 152.82 39.51 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.416 1.073 . . . . 0.0 109.211 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo . . . . . 0 C--N 1.36 1.144 0 O-C-N 124.565 1.823 . . . . 0.0 111.061 179.866 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.356 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.553 HE21 ' H ' ' A' ' 4' ' ' ILE . 38.5 tp60 -156.04 133.88 11.17 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.554 1.159 . . . . 0.0 110.293 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.553 ' H ' HE21 ' A' ' 3' ' ' GLN . 39.8 mm -91.15 87.52 2.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 O-C-N 124.401 1.063 . . . . 0.0 109.239 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.1 t -110.34 14.64 22.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.463 1.102 . . . . 0.0 110.496 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -87.94 -19.6 52.99 Favored Glycine 0 CA--C 1.529 0.91 0 O-C-N 124.487 1.117 . . . . 0.0 111.051 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 23.7 mmt85 -83.51 143.38 44.26 Favored Pre-proline 0 C--N 1.326 -0.414 0 O-C-N 124.538 0.787 . . . . 0.0 110.291 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -70.24 -23.95 28.03 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.572 1.827 . . . . 0.0 110.963 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -70.1 -38.65 75.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 110.303 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.763 ' CD2' HD11 ' A' ' 61' ' ' LEU . 58.5 t90 -69.11 -35.75 76.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 107.984 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 6.4 mm -68.74 -38.67 79.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.582 1.177 . . . . 0.0 109.318 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 75.6 t-105 -68.15 -36.24 79.36 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.494 1.121 . . . . 0.0 107.99 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 1.175 HD23 ' CB ' ' A' ' 61' ' ' LEU . 10.1 tp -66.18 -44.39 84.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.264 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 1.195 ' C ' ' OH ' ' A' ' 57' ' ' TYR . . . -64.36 -37.4 87.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.752 ' N ' ' OH ' ' A' ' 57' ' ' TYR . 9.9 tp -65.08 -41.55 94.95 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.462 1.101 . . . . 0.0 109.328 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.56 -40.48 96.09 Favored Glycine 0 CA--C 1.528 0.905 0 O-C-N 124.604 1.19 . . . . 0.0 111.013 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.964 ' N ' ' CZ ' ' A' ' 57' ' ' TYR . 43.4 m -67.77 -34.99 77.89 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.363 0.684 . . . . 0.0 110.441 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.07 -35.46 66.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 109.226 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 58.5 tp -66.0 -53.11 42.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 109.388 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.852 ' SD ' ' HB1' ' A' ' 53' ' ' ALA . 66.9 mtm -63.87 -37.9 89.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 111.005 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -64.12 -40.71 98.34 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.519 1.137 . . . . 0.0 110.992 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 61.6 tp -68.28 -39.66 82.06 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 0.761 . . . . 0.0 109.179 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.06 -43.01 99.44 Favored Glycine 0 CA--C 1.528 0.879 0 O-C-N 124.542 1.151 . . . . 0.0 110.993 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.785 HG23 ' HG2' ' A' ' 50' ' ' PRO . 55.9 m -67.66 -39.8 84.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.4 0.706 . . . . 0.0 110.408 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 61.4 tp -62.66 -46.21 89.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 109.312 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 91.4 t80 -63.02 -38.04 89.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 110.989 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 1.084 ' CD2' HG23 ' A' ' 47' ' ' THR . 88.7 t80 -66.04 -35.17 79.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.118 . . . . 0.0 110.977 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.906 HD23 HG21 ' A' ' 47' ' ' THR . 22.4 mt -72.35 -40.94 66.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 109.333 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 20.4 t -61.52 -46.41 96.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.449 1.093 . . . . 0.0 109.276 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.3 mmpp? -69.28 -33.33 73.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.341 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -61.02 -43.95 98.81 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.612 1.195 . . . . 0.0 110.986 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 73.8 mtm -79.54 -26.99 41.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 0.77 . . . . 0.0 110.916 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 89.4 49.84 3.35 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.501 1.126 . . . . 0.0 111.061 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 25.0 t . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.529 0.782 . . . . 0.0 109.302 -179.973 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo . . . . . 0 N--CA 1.453 -0.866 0 N-CA-C 111.023 -0.414 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -157.88 -50.7 0.07 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.668 1.23 . . . . 0.0 109.327 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.61 -56.12 13.92 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.634 1.209 . . . . 0.0 109.345 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 34.6 mmtm -66.9 -27.59 67.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.608 1.192 . . . . 0.0 109.288 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -64.03 -53.99 41.23 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.475 1.109 . . . . 0.0 109.347 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 81.6 t80 -60.0 -42.55 94.52 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.55 1.156 . . . . 0.0 110.968 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 87.2 t80 -60.83 -40.81 94.18 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.516 1.135 . . . . 0.0 110.922 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.67 -45.92 92.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.548 1.155 . . . . 0.0 109.27 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.4 mp -62.97 -38.63 82.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 O-C-N 124.558 1.161 . . . . 0.0 109.288 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 42.9 m -70.08 -19.39 63.27 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.417 1.073 . . . . 0.0 110.439 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' THR . . . . . 1.084 HG23 ' CD2' ' A' ' 27' ' ' PHE . 97.2 m -93.37 -17.06 23.97 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.57 1.169 . . . . 0.0 110.254 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.517 HD13 ' HB3' ' A' ' 51' ' ' ALA . 3.5 mm? -101.6 -5.86 24.55 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.536 1.148 . . . . 0.0 109.426 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.547 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 0.9 OUTLIER -64.4 -49.54 71.33 Favored Pre-proline 0 C--N 1.327 -0.41 0 O-C-N 124.469 1.106 . . . . 0.0 109.197 -179.814 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.785 ' HG2' HG23 ' A' ' 24' ' ' THR . 18.4 Cg_endo -75.06 -20.19 16.98 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.487 1.783 . . . . 0.0 111.016 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.66 ' CA ' HG21 ' A' ' 24' ' ' THR . . . -73.38 -42.68 61.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.668 1.23 . . . . 0.0 109.26 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 52.5 mt -73.13 -37.97 53.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.333 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.852 ' HB1' ' SD ' ' A' ' 20' ' ' MET . . . -62.05 -43.57 98.55 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.496 1.122 . . . . 0.0 109.248 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.766 ' HD1' ' O ' ' A' ' 17' ' ' THR . 83.3 t80 -67.31 -41.24 85.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 111.028 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 52.8 m -60.08 -43.24 95.64 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.439 1.087 . . . . 0.0 110.378 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 83.6 mtp -68.64 -40.96 80.04 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.561 1.163 . . . . 0.0 111.087 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 1.195 ' OH ' ' C ' ' A' ' 14' ' ' ALA . 79.5 t80 -63.07 -31.38 72.5 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.571 1.169 . . . . 0.0 111.119 179.813 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.772 ' CD2' HG21 ' A' ' 17' ' ' THR . 0.1 OUTLIER -81.46 -36.04 29.83 Favored 'General case' 0 C--N 1.327 -0.394 0 O-C-N 124.444 1.09 . . . . 0.0 109.334 179.882 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 11.2 t -71.05 -10.12 59.22 Favored 'General case' 0 C--N 1.327 -0.39 0 O-C-N 124.518 1.136 . . . . 0.0 110.127 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' MET . . . . . 1.09 ' HE2' HD11 ' A' ' 13' ' ' LEU . 56.3 ttp -107.76 -44.72 4.17 Favored 'General case' 0 N--CA 1.453 -0.31 0 O-C-N 124.551 1.157 . . . . 0.0 110.85 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 1.175 ' CB ' HD23 ' A' ' 13' ' ' LEU . 56.1 tp -57.68 -60.0 4.34 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.494 1.121 . . . . 0.0 109.244 -179.809 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.538 HD23 ' OE1' ' A' ' 3' ' ' GLN . 0.7 OUTLIER -74.46 -38.19 63.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 89.21 88.81 1.22 Allowed Glycine 0 CA--C 1.531 1.082 0 O-C-N 124.591 1.182 . . . . 0.0 110.872 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -121.26 0.11 10.01 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.618 0.834 . . . . 0.0 111.099 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 177.2 -43.74 0.1 OUTLIER Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.467 1.105 . . . . 0.0 111.126 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 8.9 mp -62.82 -57.22 11.64 Favored 'General case' 0 N--CA 1.449 -0.49 0 O-C-N 124.453 0.737 . . . . 0.0 109.355 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 27.8 m -76.9 -44.09 33.19 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.56 1.162 . . . . 0.0 110.421 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 62.1 mtt -91.23 83.65 5.55 Favored 'General case' 0 C--N 1.328 -0.369 0 O-C-N 124.407 1.067 . . . . 0.0 110.993 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 8.5 m -83.92 152.55 62.68 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.47 1.106 . . . . 0.0 109.19 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo . . . . . 0 C--N 1.361 1.194 0 O-C-N 124.558 1.82 . . . . 0.0 111.064 -179.944 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.253 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -80.41 -43.27 21.28 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.552 1.157 . . . . 0.0 110.272 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 40.0 mm -92.38 130.31 41.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.244 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.7 t -136.21 22.66 3.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 110.473 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -68.99 -60.65 5.1 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.549 1.156 . . . . 0.0 110.975 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -99.82 144.18 27.86 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.493 0.761 . . . . 0.0 110.269 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_endo -72.54 -24.57 18.75 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.444 1.76 . . . . 0.0 111.041 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 51.3 mp0 -67.82 -35.34 78.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.24 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.626 ' NE1' ' O ' ' A' ' 61' ' ' LEU . 48.6 t90 -67.92 -38.9 83.46 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.467 1.104 . . . . 0.0 108.06 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 6.3 mm -67.46 -36.81 77.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 0.0 109.284 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 76.6 t-105 -67.44 -35.09 78.55 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.627 1.205 . . . . 0.0 107.977 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 1.246 HD23 ' CE1' ' A' ' 57' ' ' TYR . 1.3 tt -67.11 -47.7 70.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.339 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 1.286 ' C ' ' OH ' ' A' ' 57' ' ' TYR . . . -61.49 -38.18 86.36 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.359 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.866 ' N ' ' OH ' ' A' ' 57' ' ' TYR . 3.9 tt -65.0 -41.32 95.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.434 ' N ' ' OH ' ' A' ' 57' ' ' TYR . . . -64.17 -42.67 97.89 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.513 1.133 . . . . 0.0 110.995 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' THR . . . . . 1.126 ' N ' ' CZ ' ' A' ' 57' ' ' TYR . 30.2 m -66.01 -36.95 84.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 0.75 . . . . 0.0 110.457 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.65 -38.09 77.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.446 1.091 . . . . 0.0 109.338 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.5 tt -65.23 -43.88 90.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.345 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' MET . . . . . 1.564 ' CE ' ' HB1' ' A' ' 53' ' ' ALA . 77.9 mtp -64.14 -45.66 87.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.996 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -63.4 -35.75 92.47 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.532 1.145 . . . . 0.0 111.057 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.5 tt -65.09 -49.3 70.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.568 0.804 . . . . 0.0 109.286 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -61.47 -39.72 97.69 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.464 1.103 . . . . 0.0 110.99 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' THR . . . . . 1.347 ' OG1' ' CB ' ' A' ' 50' ' ' PRO . 88.9 m -66.66 -34.52 78.05 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.536 0.786 . . . . 0.0 110.469 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.1 tp -62.38 -53.79 49.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -61.45 -36.25 79.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 111.08 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.95 ' CZ ' ' C ' ' A' ' 46' ' ' THR . 90.6 t80 -63.84 -36.87 85.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 110.968 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.613 HD23 HG21 ' A' ' 47' ' ' THR . 23.0 mt -71.54 -40.33 70.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.598 1.186 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 39.3 t -64.32 -38.94 83.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.105 . . . . 0.0 109.375 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 55.7 mttm -73.66 -32.29 63.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.567 1.167 . . . . 0.0 109.335 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -65.26 -45.01 92.81 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.558 1.161 . . . . 0.0 111.023 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 72.7 mtm -78.45 -31.73 48.13 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.395 0.703 . . . . 0.0 111.073 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.453 ' O ' ' C ' ' A' ' 34' ' ' VAL . . . -70.59 -68.47 1.62 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.465 1.103 . . . . 0.0 110.98 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.453 ' C ' ' O ' ' A' ' 33' ' ' GLY . 2.7 p . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.425 0.721 . . . . 0.0 109.349 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.454 -0.839 0 N-CA-C 111.014 -0.418 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -71.2 -32.82 69.31 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.528 1.142 . . . . 0.0 109.27 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -72.1 -40.24 68.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.399 1.062 . . . . 0.0 109.243 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 55.1 mmtt -68.38 -36.33 79.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.631 1.207 . . . . 0.0 109.348 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -66.05 -50.41 64.25 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.667 1.229 . . . . 0.0 109.214 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -58.71 -43.1 90.02 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.563 1.164 . . . . 0.0 111.077 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.484 ' O ' ' HZ ' ' A' ' 27' ' ' PHE . 78.7 t80 -62.79 -39.95 95.84 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.44 1.087 . . . . 0.0 111.05 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.02 -45.8 93.33 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 0.0 109.277 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.4 mp -62.99 -39.52 85.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.6 1.188 . . . . 0.0 109.332 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.95 ' C ' ' CZ ' ' A' ' 27' ' ' PHE . 51.2 m -68.06 -25.56 65.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 110.372 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.613 HG21 HD23 ' A' ' 28' ' ' LEU . 55.3 m -92.94 -8.84 42.04 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 124.441 1.088 . . . . 0.0 110.508 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.9 tp -102.22 -7.16 22.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.409 1.068 . . . . 0.0 109.412 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.544 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 1.3 t -65.06 -50.18 63.03 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 109.184 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 1.347 ' CB ' ' OG1' ' A' ' 24' ' ' THR . 18.2 Cg_endo -74.97 -14.6 21.16 Favored 'Trans proline' 0 C--N 1.361 1.235 0 O-C-N 124.525 1.803 . . . . 0.0 110.957 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -73.5 -50.96 18.8 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.605 1.19 . . . . 0.0 109.247 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 37.6 pt -71.53 -30.72 40.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 1.564 ' HB1' ' CE ' ' A' ' 20' ' ' MET . . . -65.57 -45.72 82.23 Favored 'General case' 0 C--N 1.323 -0.577 0 O-C-N 124.619 1.199 . . . . 0.0 109.317 179.82 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.629 ' HD1' ' O ' ' A' ' 17' ' ' THR . 82.2 t80 -67.96 -37.58 81.73 Favored 'General case' 0 C--N 1.322 -0.611 0 O-C-N 124.55 1.156 . . . . 0.0 110.935 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 83.3 m -62.6 -43.68 98.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.402 1.064 . . . . 0.0 110.302 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 80.7 mtp -69.14 -41.23 77.58 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.449 1.093 . . . . 0.0 111.038 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 1.286 ' OH ' ' C ' ' A' ' 14' ' ' ALA . 81.1 t80 -64.99 -32.57 74.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.432 1.083 . . . . 0.0 110.961 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.6 tp -79.48 -35.3 40.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.429 1.081 . . . . 0.0 109.438 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 47.1 t -73.27 -9.17 58.42 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.65 1.219 . . . . 0.0 110.002 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' MET . . . . . 1.143 ' CE ' HD11 ' A' ' 13' ' ' LEU . 55.6 ttp -108.21 -41.21 4.96 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.517 1.135 . . . . 0.0 110.918 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.972 HD13 ' N ' ' A' ' 14' ' ' ALA . 14.2 tp -59.24 -65.37 0.68 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.0 mt -74.39 -33.95 63.17 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 124.348 1.03 . . . . 0.0 109.286 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 88.13 92.46 1.04 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.577 1.173 . . . . 0.0 111.043 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -142.67 19.38 2.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 0.779 . . . . 0.0 110.909 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 175.07 -52.63 0.13 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.435 1.084 . . . . 0.0 111.119 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -67.58 -42.88 81.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.645 0.85 . . . . 0.0 109.282 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 17.2 m -78.4 -44.64 24.35 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.46 1.1 . . . . 0.0 110.497 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 55.0 mtm -96.43 84.81 3.78 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.458 1.099 . . . . 0.0 110.98 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 6.3 m -86.31 152.55 55.46 Favored Pre-proline 0 C--N 1.327 -0.402 0 O-C-N 124.483 1.115 . . . . 0.0 109.268 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo . . . . . 0 C--N 1.361 1.195 0 O-C-N 124.358 1.715 . . . . 0.0 111.031 179.956 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 61.5 mm-40 -80.15 -44.14 20.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 110.298 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 40.7 mm -95.07 95.87 5.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.601 1.188 . . . . 0.0 109.428 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.6 t -151.77 62.47 0.86 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 110.381 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -60.8 -37.74 94.13 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.486 1.116 . . . . 0.0 111.014 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.69 126.89 24.63 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.435 0.726 . . . . 0.0 110.325 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -79.25 -9.35 15.17 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.464 1.771 . . . . 0.0 110.962 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -68.98 -40.61 78.71 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.564 1.165 . . . . 0.0 110.362 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.713 ' CE2' HD11 ' A' ' 61' ' ' LEU . 85.9 t90 -71.67 -32.74 68.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 107.992 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 8.5 mm -69.09 -36.78 75.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.566 1.166 . . . . 0.0 109.333 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 75.3 t-105 -69.64 -35.35 75.13 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 1.251 HD23 ' CE1' ' A' ' 57' ' ' TYR . 1.3 tt -66.49 -47.26 73.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.554 1.159 . . . . 0.0 109.29 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.781 ' HA ' HD22 ' A' ' 61' ' ' LEU . . . -61.82 -39.0 90.23 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.405 1.066 . . . . 0.0 109.325 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.9 tt -64.55 -40.96 96.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.242 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.19 -42.18 98.05 Favored Glycine 0 CA--C 1.532 1.097 0 O-C-N 124.524 1.14 . . . . 0.0 110.951 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.986 HG21 ' HG ' ' A' ' 58' ' ' LEU . 33.4 m -66.95 -36.87 83.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.58 0.812 . . . . 0.0 110.392 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.28 -37.64 77.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 11.8 tp -65.47 -46.0 81.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' MET . . . . . 1.522 ' CE ' ' HB1' ' A' ' 53' ' ' ALA . 78.7 mtp -63.47 -42.2 98.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.401 1.063 . . . . 0.0 110.939 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.478 ' CA ' ' CD1' ' A' ' 54' ' ' PHE . . . -63.95 -39.68 97.54 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.477 1.111 . . . . 0.0 111.037 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.7 tt -67.75 -39.32 84.19 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.457 0.739 . . . . 0.0 109.346 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.4 -42.54 97.6 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.397 1.061 . . . . 0.0 110.965 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' THR . . . . . 1.23 ' OG1' ' HB2' ' A' ' 50' ' ' PRO . 43.5 m -66.55 -39.99 88.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 0.771 . . . . 0.0 110.37 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 56.5 tp -63.63 -46.26 86.5 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 72.9 t80 -63.02 -37.01 85.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 111.028 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 1.168 ' CD2' HG23 ' A' ' 47' ' ' THR . 86.0 t80 -66.45 -36.61 83.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 111.067 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.773 HD23 HG21 ' A' ' 47' ' ' THR . 20.6 mt -70.41 -42.68 71.32 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.564 1.165 . . . . 0.0 109.347 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 39.1 t -66.55 -34.7 71.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 0.0 109.327 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 27.3 ttpp -71.35 -37.22 71.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -64.9 -49.67 61.94 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.478 1.111 . . . . 0.0 110.985 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 67.0 mtm -68.97 -35.57 76.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 0.752 . . . . 0.0 110.97 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.819 ' O ' HG12 ' A' ' 34' ' ' VAL . . . -65.57 -40.18 95.91 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.422 1.076 . . . . 0.0 111.047 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.819 HG12 ' O ' ' A' ' 33' ' ' GLY . 1.4 p . . . . . 0 C--N 1.326 -0.42 0 O-C-N 124.408 0.71 . . . . 0.0 109.281 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.87 0 N-CA-C 110.977 -0.432 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -157.76 -50.96 0.07 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.434 1.084 . . . . 0.0 109.389 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.22 -54.89 22.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 109.451 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 24.7 mtpp -67.72 -28.26 67.5 Favored 'General case' 0 C--N 1.328 -0.342 0 O-C-N 124.54 1.15 . . . . 0.0 109.249 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -64.94 -48.91 72.41 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.563 1.164 . . . . 0.0 109.118 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 83.1 t80 -63.39 -43.74 96.71 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 124.565 1.166 . . . . 0.0 110.995 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 86.9 t80 -61.04 -41.31 96.34 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.39 1.056 . . . . 0.0 110.933 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.53 -44.92 96.19 Favored 'General case' 0 C--N 1.323 -0.587 0 O-C-N 124.564 1.165 . . . . 0.0 109.298 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 45.4 mt -63.48 -39.25 84.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.403 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.438 ' C ' ' CZ ' ' A' ' 27' ' ' PHE . 45.5 m -70.47 -18.55 62.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.411 1.069 . . . . 0.0 110.414 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' THR . . . . . 1.168 HG23 ' CD2' ' A' ' 27' ' ' PHE . 97.4 m -93.96 -17.31 23.08 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.563 1.164 . . . . 0.0 110.48 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.508 HD13 ' HB3' ' A' ' 51' ' ' ALA . 3.5 mm? -101.73 -7.03 22.96 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.517 1.136 . . . . 0.0 109.29 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.545 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 0.9 OUTLIER -63.58 -49.93 75.05 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.588 1.18 . . . . 0.0 109.35 179.931 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 1.23 ' HB2' ' OG1' ' A' ' 24' ' ' THR . 18.4 Cg_endo -74.92 -22.59 14.83 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.523 1.802 . . . . 0.0 111.109 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.814 ' CA ' HG21 ' A' ' 24' ' ' THR . . . -70.37 -45.22 66.48 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.553 1.158 . . . . 0.0 109.274 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 6.5 mm -69.74 -38.91 77.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.69 1.244 . . . . 0.0 109.326 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 1.522 ' HB1' ' CE ' ' A' ' 20' ' ' MET . . . -60.15 -41.09 92.02 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.491 1.119 . . . . 0.0 109.207 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.952 ' CD1' ' O ' ' A' ' 17' ' ' THR . 38.2 t80 -66.84 -38.29 86.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.355 1.034 . . . . 0.0 110.946 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 47.2 m -65.25 -41.14 94.62 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.372 1.045 . . . . 0.0 110.305 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 53.2 mtm -69.26 -37.32 77.87 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.515 1.134 . . . . 0.0 110.996 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 1.251 ' CE1' HD23 ' A' ' 13' ' ' LEU . 38.0 t80 -62.21 -35.17 78.06 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.467 1.104 . . . . 0.0 110.902 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.986 ' HG ' HG21 ' A' ' 17' ' ' THR . 43.5 mt -80.81 -34.73 33.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.558 1.161 . . . . 0.0 109.251 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 44.3 t -65.56 -17.02 64.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 0.0 109.895 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.89 ' SD ' HD11 ' A' ' 13' ' ' LEU . 20.1 ttm -104.9 -46.75 4.21 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 124.552 1.158 . . . . 0.0 111.003 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.781 HD22 ' HA ' ' A' ' 14' ' ' ALA . 46.7 tp -55.32 -62.51 1.63 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.645 1.215 . . . . 0.0 109.424 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 10.8 mt -71.77 -34.14 69.19 Favored 'General case' 0 C--N 1.328 -0.356 0 O-C-N 124.451 1.094 . . . . 0.0 109.319 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 75.75 78.57 0.66 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.565 1.165 . . . . 0.0 111.008 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -142.89 22.36 1.94 Allowed 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.552 0.795 . . . . 0.0 110.962 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -172.47 -53.99 0.04 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.672 1.233 . . . . 0.0 111.021 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -73.66 -35.33 65.22 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.466 0.745 . . . . 0.0 109.338 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 57.4 m -82.06 -36.98 27.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.402 1.063 . . . . 0.0 110.342 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 59.0 mtt -83.9 82.33 8.39 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.495 1.122 . . . . 0.0 110.92 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 23.7 m -133.09 153.4 80.84 Favored Pre-proline 0 C--N 1.328 -0.344 0 O-C-N 124.339 1.024 . . . . 0.0 109.256 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo . . . . . 0 C--N 1.359 1.079 0 O-C-N 124.54 1.811 . . . . 0.0 110.924 -179.979 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 3.4 tp60 -150.88 150.61 31.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 110.331 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 37.0 mm -84.77 77.98 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.43 1.082 . . . . 0.0 109.292 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.8 t -90.7 -13.43 34.15 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.482 1.114 . . . . 0.0 110.376 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -67.85 -36.55 87.05 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.557 1.16 . . . . 0.0 111.008 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.4 tpt85 -97.1 108.87 46.56 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.497 0.763 . . . . 0.0 110.225 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo -66.05 -27.9 49.6 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.552 1.817 . . . . 0.0 110.995 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -66.24 -36.64 83.53 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.464 1.102 . . . . 0.0 110.27 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.795 ' CE2' HD11 ' A' ' 61' ' ' LEU . 75.0 t90 -69.32 -36.47 77.0 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.072 -1.084 . . . . 0.0 108.072 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 7.4 mm -69.0 -35.51 69.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.612 1.195 . . . . 0.0 109.266 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 63.7 t90 -68.74 -36.59 78.57 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 1.616 HD23 ' CE1' ' A' ' 57' ' ' TYR . 1.1 tt -67.97 -46.07 72.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.267 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.73 -39.35 91.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.417 1.073 . . . . 0.0 109.316 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 60.0 tp -65.37 -41.09 94.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.604 1.19 . . . . 0.0 109.316 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.04 -41.91 98.37 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.488 1.118 . . . . 0.0 110.921 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.817 ' O ' ' HD1' ' A' ' 54' ' ' PHE . 34.7 m -67.0 -36.82 83.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.581 0.812 . . . . 0.0 110.376 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.64 -37.19 76.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.42 1.075 . . . . 0.0 109.21 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.4 tt -65.69 -45.92 81.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.323 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.741 ' O ' ' HB2' ' A' ' 50' ' ' PRO . 78.5 mtp -63.77 -42.65 97.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 111.022 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -63.73 -39.37 97.41 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.46 1.1 . . . . 0.0 111.021 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 61.6 tp -66.98 -40.74 87.49 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.417 0.716 . . . . 0.0 109.288 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.35 -42.7 99.09 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.483 1.115 . . . . 0.0 110.97 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' THR . . . . . 1.241 ' CA ' ' HG2' ' A' ' 50' ' ' PRO . 37.9 m -66.72 -40.25 88.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 0.748 . . . . 0.0 110.4 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 59.5 tp -63.25 -45.62 90.67 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.467 1.105 . . . . 0.0 109.284 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 73.7 t80 -62.51 -37.55 86.46 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.527 1.142 . . . . 0.0 111.07 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.484 ' CD2' ' O ' ' A' ' 47' ' ' THR . 88.8 t80 -67.99 -34.65 76.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 111.005 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 23.2 mt -72.03 -39.23 69.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.429 1.081 . . . . 0.0 109.387 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 19.5 t -63.7 -42.22 95.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 109.309 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 40.6 mmtm -74.47 -29.71 61.56 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.562 1.163 . . . . 0.0 109.342 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.559 ' HA2' ' OH ' ' A' ' 43' ' ' TYR . . . -65.41 -43.31 95.13 Favored Glycine 0 CA--C 1.531 1.081 0 O-C-N 124.538 1.149 . . . . 0.0 110.994 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 72.2 mtm -80.94 -33.9 33.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.602 0.825 . . . . 0.0 110.999 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.464 ' O ' ' C ' ' A' ' 34' ' ' VAL . . . -70.44 -68.01 1.75 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.507 1.13 . . . . 0.0 110.959 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.464 ' C ' ' O ' ' A' ' 33' ' ' GLY . 2.7 p . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.477 0.751 . . . . 0.0 109.348 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.455 -0.782 0 N-CA-C 110.923 -0.453 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 40.9 m-20 -72.58 -33.17 66.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.363 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.76 -39.91 72.98 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.481 1.113 . . . . 0.0 109.332 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 57.0 mtmt -70.13 -36.07 74.54 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.398 1.061 . . . . 0.0 109.376 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -66.68 -45.5 78.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.415 1.072 . . . . 0.0 109.39 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 80.6 t80 -63.45 -40.21 96.53 Favored 'General case' 0 N--CA 1.449 -0.48 0 O-C-N 124.375 1.047 . . . . 0.0 111.035 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.559 ' OH ' ' HA2' ' A' ' 31' ' ' GLY . 86.2 t80 -66.84 -38.4 86.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.326 1.016 . . . . 0.0 110.824 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.71 -46.52 85.08 Favored 'General case' 0 C--N 1.322 -0.596 0 O-C-N 124.439 1.087 . . . . 0.0 109.307 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 51.3 mt -62.77 -41.92 94.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 O-C-N 124.394 1.059 . . . . 0.0 109.381 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.416 ' C ' ' CZ ' ' A' ' 27' ' ' PHE . 98.9 m -63.83 -27.82 69.43 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.551 1.157 . . . . 0.0 110.454 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.484 ' O ' ' CD2' ' A' ' 27' ' ' PHE . 90.7 m -87.05 -18.96 29.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.362 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 6.1 mp -103.09 13.28 34.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.562 1.164 . . . . 0.0 109.304 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.566 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 1.0 OUTLIER -60.18 -49.03 92.72 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.396 1.06 . . . . 0.0 109.364 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 1.241 ' HG2' ' CA ' ' A' ' 24' ' ' THR . 18.9 Cg_endo -75.04 -24.15 13.03 Favored 'Trans proline' 0 C--N 1.361 1.223 0 O-C-N 124.456 1.766 . . . . 0.0 111.089 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 1.141 ' CB ' HG21 ' A' ' 24' ' ' THR . . . -70.2 -40.16 74.75 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.583 1.177 . . . . 0.0 109.265 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 47.5 mt -74.21 -39.62 49.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 O-C-N 124.686 1.241 . . . . 0.0 109.247 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.534 ' O ' ' HE1' ' A' ' 20' ' ' MET . . . -61.12 -42.63 98.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.563 1.165 . . . . 0.0 109.3 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.817 ' HD1' ' O ' ' A' ' 17' ' ' THR . 87.5 t80 -67.32 -41.52 85.16 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.425 1.078 . . . . 0.0 111.16 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 53.2 m -60.13 -41.75 93.34 Favored 'General case' 0 N--CA 1.45 -0.43 0 O-C-N 124.353 1.033 . . . . 0.0 110.543 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 83.7 mtp -69.73 -39.31 76.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 110.908 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 1.616 ' CE1' HD23 ' A' ' 13' ' ' LEU . 77.2 t80 -65.75 -31.48 72.49 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.593 1.183 . . . . 0.0 111.055 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -81.82 -33.61 30.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 34.0 t -72.89 -11.83 60.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.963 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 50.1 ttm -106.23 -45.82 4.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.667 1.229 . . . . 0.0 111.071 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.795 HD11 ' CE2' ' A' ' 10' ' ' TRP . 22.1 tp -57.55 -60.77 3.16 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.428 1.08 . . . . 0.0 109.283 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.428 HD22 ' HA ' ' A' ' 62' ' ' LEU . 0.1 OUTLIER -74.71 -46.91 34.48 Favored 'General case' 0 C--N 1.322 -0.625 0 O-C-N 124.59 1.181 . . . . 0.0 109.371 -179.894 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 100.41 89.11 2.02 Favored Glycine 0 CA--C 1.531 1.079 0 O-C-N 124.438 1.086 . . . . 0.0 110.969 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -140.89 17.39 2.31 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.599 0.823 . . . . 0.0 111.096 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 177.71 -48.69 0.1 OUTLIER Glycine 0 CA--C 1.533 1.173 0 O-C-N 124.493 1.12 . . . . 0.0 111.071 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -74.66 -72.85 0.26 Allowed 'General case' 0 C--N 1.323 -0.58 0 O-C-N 124.628 0.84 . . . . 0.0 109.252 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 23.9 m -63.16 -47.51 82.36 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.343 1.027 . . . . 0.0 110.404 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 63.3 mtt -106.91 97.9 7.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.975 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 12.9 m -74.46 152.12 87.6 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.158 . . . . 0.0 109.127 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.357 1.002 0 O-C-N 124.759 1.926 . . . . 0.0 111.064 179.964 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -134.34 75.32 1.58 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.237 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 36.5 mm -89.61 93.41 4.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.424 1.077 . . . . 0.0 109.291 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.8 t -85.8 -12.96 49.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 110.415 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -72.46 -105.63 0.06 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.642 1.214 . . . . 0.0 110.958 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 35.9 ptt-85 -63.37 155.92 72.4 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.515 0.774 . . . . 0.0 110.215 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -101.7 8.43 0.5 Allowed 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.557 1.82 . . . . 0.0 111.039 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -71.36 -43.18 67.4 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.44 1.087 . . . . 0.0 110.317 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 1.537 ' CE2' HD11 ' A' ' 61' ' ' LEU . 79.4 t90 -70.04 -31.56 69.26 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 8.3 mm -70.24 -38.2 73.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 109.314 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 64.3 t90 -68.41 -35.86 78.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 108.06 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 1.535 HD23 ' CE1' ' A' ' 57' ' ' TYR . 1.2 tt -67.16 -46.45 73.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.647 ' HA ' ' CE2' ' A' ' 57' ' ' TYR . . . -61.86 -39.01 90.42 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.454 1.096 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.7 tt -65.41 -40.33 93.24 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.407 1.067 . . . . 0.0 109.294 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.6 -41.83 97.64 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.529 1.143 . . . . 0.0 110.943 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.931 HG23 ' HB3' ' A' ' 57' ' ' TYR . 33.0 m -67.34 -36.82 82.21 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.466 0.745 . . . . 0.0 110.41 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.38 -37.64 77.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 59.8 tp -65.61 -46.46 79.23 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.486 1.116 . . . . 0.0 109.275 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.534 ' HE1' ' O ' ' A' ' 53' ' ' ALA . 78.0 mtp -62.57 -43.38 98.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 111.013 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.21 -43.4 99.16 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.519 1.137 . . . . 0.0 111.012 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.5 tt -63.39 -42.51 98.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 0.769 . . . . 0.0 109.309 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.93 -43.93 97.63 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.581 1.176 . . . . 0.0 111.039 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' THR . . . . . 1.44 ' OG1' ' CB ' ' A' ' 50' ' ' PRO . 33.9 m -64.46 -38.06 89.7 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.614 0.832 . . . . 0.0 110.393 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.1 tt -63.22 -45.11 93.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.564 1.165 . . . . 0.0 109.369 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -64.27 -38.57 91.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 111.04 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.628 ' CZ ' ' C ' ' A' ' 46' ' ' THR . 88.3 t80 -64.6 -36.78 85.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 110.985 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 20.6 mt -68.98 -40.31 78.89 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.473 1.108 . . . . 0.0 109.344 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 24.3 t -63.34 -38.86 83.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 45.2 mttm -70.13 -37.81 75.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 1.239 ' CA ' ' OH ' ' A' ' 43' ' ' TYR . . . -61.95 -46.41 94.15 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.423 1.077 . . . . 0.0 110.998 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 70.8 mtm -74.91 -28.75 60.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 0.757 . . . . 0.0 111.007 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 86.99 68.32 1.33 Allowed Glycine 0 CA--C 1.531 1.086 0 O-C-N 124.536 1.148 . . . . 0.0 110.873 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 40.2 t . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.469 0.747 . . . . 0.0 109.27 179.924 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.946 0 N-CA-C 110.974 -0.433 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -81.16 -19.96 42.31 Favored 'General case' 0 C--N 1.323 -0.573 0 O-C-N 124.443 1.09 . . . . 0.0 109.219 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -67.51 -35.88 79.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.24 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 27.9 mtmm -70.91 -36.72 72.81 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 124.223 0.952 . . . . 0.0 109.352 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -67.27 -44.66 78.8 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.601 1.188 . . . . 0.0 109.334 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -62.75 -43.7 98.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.115 . . . . 0.0 111.081 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 1.239 ' OH ' ' CA ' ' A' ' 31' ' ' GLY . 81.0 t80 -63.55 -39.94 95.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 111.036 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.2 -44.89 95.57 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.591 1.182 . . . . 0.0 109.254 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 44.4 mt -62.45 -43.06 97.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.411 1.069 . . . . 0.0 109.233 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.628 ' C ' ' CZ ' ' A' ' 27' ' ' PHE . 50.4 m -65.88 -24.7 66.92 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 0.0 110.469 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 96.2 m -87.93 -16.74 33.0 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.51 1.131 . . . . 0.0 110.473 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 5.2 mp -102.92 5.29 38.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.67 1.231 . . . . 0.0 109.336 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.559 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 1.1 t -61.25 -49.44 88.08 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.326 1.017 . . . . 0.0 109.375 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 1.44 ' CB ' ' OG1' ' A' ' 24' ' ' THR . 18.6 Cg_endo -74.8 -23.35 14.34 Favored 'Trans proline' 0 C--N 1.358 1.048 0 O-C-N 124.575 1.829 . . . . 0.0 111.157 179.757 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.927 ' HB2' HG21 ' A' ' 24' ' ' THR . . . -70.61 -41.52 72.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 6.2 mm -73.49 -40.62 55.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.562 1.163 . . . . 0.0 109.248 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.534 ' O ' ' HE1' ' A' ' 20' ' ' MET . . . -60.13 -41.94 93.72 Favored 'General case' 0 C--N 1.327 -0.384 0 O-C-N 124.575 1.172 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.691 ' HD1' ' O ' ' A' ' 17' ' ' THR . 76.5 t80 -68.06 -40.15 82.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.444 1.09 . . . . 0.0 110.95 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 53.7 m -61.65 -42.42 98.88 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.509 1.131 . . . . 0.0 110.43 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -67.34 -44.35 79.3 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.553 1.158 . . . . 0.0 111.057 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 1.535 ' CE1' HD23 ' A' ' 13' ' ' LEU . 86.1 t80 -66.33 -29.64 69.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.589 1.18 . . . . 0.0 111.068 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 13.2 tp -78.3 -33.65 49.26 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 124.432 1.082 . . . . 0.0 109.195 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 46.9 t -70.03 -15.3 62.99 Favored 'General case' 0 C--N 1.328 -0.357 0 O-C-N 124.488 1.117 . . . . 0.0 109.992 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' MET . . . . . 1.462 ' CE ' ' CD1' ' A' ' 13' ' ' LEU . 57.7 ttp -101.94 -55.37 2.51 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.453 1.096 . . . . 0.0 110.998 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 1.537 HD11 ' CE2' ' A' ' 10' ' ' TRP . 0.2 OUTLIER -56.89 -61.7 2.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.088 . . . . 0.0 109.437 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.02 -40.38 87.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.114 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 85.49 86.79 0.97 Allowed Glycine 0 CA--C 1.532 1.101 0 O-C-N 124.694 1.247 . . . . 0.0 110.903 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -129.52 6.78 5.25 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.563 0.802 . . . . 0.0 111.074 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 177.1 -50.46 0.1 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.354 1.034 . . . . 0.0 110.966 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 5.2 mp -61.86 -48.15 81.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 0.766 . . . . 0.0 109.322 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 18.1 m -80.61 -38.63 28.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.579 1.174 . . . . 0.0 110.519 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 27.8 mtm -96.75 67.57 2.34 Favored 'General case' 0 C--N 1.327 -0.371 0 O-C-N 124.419 1.074 . . . . 0.0 110.926 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.559 ' N ' ' CD ' ' A' ' 70' ' ' PRO . 1.7 t -60.58 -49.56 89.39 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.559 ' CD ' ' N ' ' A' ' 69' ' ' VAL . 19.0 Cg_endo . . . . . 0 C--N 1.359 1.098 0 O-C-N 124.517 1.798 . . . . 0.0 111.104 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 60.8 tp60 -63.79 -44.29 93.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 110.295 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 40.1 mm -90.35 91.04 3.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 O-C-N 124.471 1.107 . . . . 0.0 109.276 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.2 t -141.13 27.69 1.93 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 110.452 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -73.36 158.11 52.47 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.497 1.123 . . . . 0.0 110.963 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 66.8 mmt-85 64.1 156.16 0.12 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.511 0.771 . . . . 0.0 110.304 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -82.63 -7.72 11.51 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.507 1.793 . . . . 0.0 111.099 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -70.2 -36.36 74.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.355 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.471 ' O ' HD11 ' A' ' 61' ' ' LEU . 68.6 t90 -72.06 -33.64 68.1 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.526 1.141 . . . . 0.0 108.038 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 8.4 mm -70.47 -38.07 72.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 73.7 t-105 -69.43 -36.58 76.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.605 1.19 . . . . 0.0 107.991 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 1.648 ' CD2' ' HB2' ' A' ' 61' ' ' LEU . 3.6 tt -66.57 -43.63 84.44 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.525 1.14 . . . . 0.0 109.328 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.54 ' HA ' HD22 ' A' ' 61' ' ' LEU . . . -64.56 -38.54 91.38 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.575 1.172 . . . . 0.0 109.248 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.8 tt -65.22 -40.41 94.08 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.548 1.155 . . . . 0.0 109.362 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.04 -42.24 96.8 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.49 1.119 . . . . 0.0 111.006 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.931 HG23 ' HB3' ' A' ' 57' ' ' TYR . 44.1 m -66.41 -36.97 84.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 0.78 . . . . 0.0 110.436 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.67 -37.42 76.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 109.302 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.5 tt -65.59 -45.64 82.46 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.458 1.099 . . . . 0.0 109.33 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.763 ' O ' ' HB2' ' A' ' 50' ' ' PRO . 78.5 mtp -63.99 -42.13 97.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 110.921 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -64.27 -39.5 97.09 Favored Glycine 0 CA--C 1.529 0.91 0 O-C-N 124.523 1.139 . . . . 0.0 111.049 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 31.6 tp -66.74 -41.1 88.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.459 0.74 . . . . 0.0 109.347 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.28 -43.97 97.66 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.545 1.153 . . . . 0.0 111.03 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' THR . . . . . 1.264 ' CA ' ' HG2' ' A' ' 50' ' ' PRO . 58.4 m -65.84 -38.31 88.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.444 0.732 . . . . 0.0 110.36 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 59.6 tp -63.91 -48.34 77.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.592 1.183 . . . . 0.0 109.272 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 35.7 t80 -62.0 -34.92 77.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 111.062 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.598 ' CZ ' ' C ' ' A' ' 46' ' ' THR . 89.1 t80 -67.35 -35.41 79.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.441 1.088 . . . . 0.0 110.99 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 21.0 mt -74.36 -33.08 62.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 109.295 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 11.0 t -61.58 -53.67 45.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.609 1.193 . . . . 0.0 109.296 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.5 ptpp? -71.75 -24.23 61.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.331 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.881 ' HA2' ' OH ' ' A' ' 43' ' ' TYR . . . -65.04 -43.83 95.23 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.405 1.065 . . . . 0.0 110.955 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 72.1 mtm -82.55 -34.14 27.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 0.737 . . . . 0.0 111.049 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.481 ' O ' ' C ' ' A' ' 34' ' ' VAL . . . -68.9 -67.62 1.89 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.538 1.149 . . . . 0.0 111.015 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.481 ' C ' ' O ' ' A' ' 33' ' ' GLY . 2.9 p . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.498 0.763 . . . . 0.0 109.354 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo . . . . . 0 N--CA 1.452 -0.92 0 N-CA-C 110.954 -0.441 . . . . 0.0 110.954 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -73.31 -22.48 60.33 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.423 1.077 . . . . 0.0 109.335 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -89.82 -25.37 21.09 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.651 1.22 . . . . 0.0 109.278 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 54.1 mttp -74.06 -47.3 37.64 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.557 1.16 . . . . 0.0 109.222 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 16.5 pttp -63.84 -36.27 83.38 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.329 1.018 . . . . 0.0 109.357 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 81.7 t80 -65.99 -46.83 76.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.562 1.164 . . . . 0.0 110.888 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.881 ' OH ' ' HA2' ' A' ' 31' ' ' GLY . 83.2 t80 -63.84 -34.98 79.14 Favored 'General case' 0 N--CA 1.449 -0.497 0 O-C-N 124.296 0.997 . . . . 0.0 110.995 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.06 -49.01 76.24 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.412 1.07 . . . . 0.0 109.445 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.4 mp -61.62 -41.36 89.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.421 1.075 . . . . 0.0 109.409 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.598 ' C ' ' CZ ' ' A' ' 27' ' ' PHE . 60.7 m -64.41 -28.2 69.52 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.616 1.198 . . . . 0.0 110.414 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.511 ' O ' ' CD2' ' A' ' 27' ' ' PHE . 93.9 m -87.41 -16.97 33.37 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.448 1.093 . . . . 0.0 110.468 179.82 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 21.2 mt -104.5 13.12 32.36 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.3 1.0 . . . . 0.0 109.202 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.56 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 1.0 OUTLIER -60.35 -49.07 92.09 Favored Pre-proline 0 N--CA 1.451 -0.405 0 O-C-N 124.339 1.024 . . . . 0.0 109.249 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 1.264 ' HG2' ' CA ' ' A' ' 24' ' ' THR . 17.8 Cg_endo -75.19 -24.09 12.86 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.415 1.745 . . . . 0.0 110.817 -179.757 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 1.109 ' CB ' HG21 ' A' ' 24' ' ' THR . . . -70.72 -40.11 73.01 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.348 1.03 . . . . 0.0 109.405 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 45.9 mt -73.41 -40.26 56.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.438 1.086 . . . . 0.0 109.342 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.597 ' O ' ' HE1' ' A' ' 20' ' ' MET . . . -61.61 -40.95 96.67 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.637 1.211 . . . . 0.0 109.392 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.647 ' HD1' ' O ' ' A' ' 17' ' ' THR . 82.3 t80 -68.42 -38.5 81.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 111.061 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 41.7 m -60.81 -43.49 98.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 110.252 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 62.2 mtm -68.87 -41.94 77.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.415 1.072 . . . . 0.0 110.873 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 1.051 ' CE1' ' HG ' ' A' ' 13' ' ' LEU . 85.6 t80 -66.02 -29.5 69.88 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 124.426 1.079 . . . . 0.0 111.078 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 9.8 tp -82.85 -31.36 28.07 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.673 1.233 . . . . 0.0 109.347 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 40.6 t -73.45 -13.14 61.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.564 1.165 . . . . 0.0 109.959 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 36.6 ttm -107.52 -56.25 2.24 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.59 1.181 . . . . 0.0 110.901 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 1.648 ' HB2' ' CD2' ' A' ' 13' ' ' LEU . 6.9 tp -55.78 -61.53 2.3 Favored 'General case' 0 C--N 1.321 -0.643 0 O-C-N 124.288 0.993 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.17 -35.64 74.14 Favored 'General case' 0 C--N 1.323 -0.585 0 O-C-N 124.63 1.206 . . . . 0.0 109.331 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 82.36 95.21 0.52 Allowed Glycine 0 CA--C 1.528 0.892 0 O-C-N 124.52 1.137 . . . . 0.0 111.012 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -149.7 23.43 0.89 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.436 0.727 . . . . 0.0 110.836 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 174.84 -51.18 0.13 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.31 1.006 . . . . 0.0 110.974 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 11.3 mt -76.07 -57.11 4.07 Favored 'General case' 0 C--N 1.322 -0.602 0 O-C-N 124.603 0.825 . . . . 0.0 109.244 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 6.2 m -67.45 -27.25 66.88 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.358 1.036 . . . . 0.0 110.459 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 16.2 mmt -58.62 -40.59 83.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.42 1.075 . . . . 0.0 110.943 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 5.5 m -101.46 153.22 37.99 Favored Pre-proline 0 C--N 1.324 -0.541 0 O-C-N 124.378 1.049 . . . . 0.0 109.338 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo . . . . . 0 C--N 1.361 1.187 0 O-C-N 124.356 1.713 . . . . 0.0 111.071 179.987 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -136.86 151.07 48.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.562 1.164 . . . . 0.0 110.284 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 35.5 mm -92.86 79.94 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.529 1.143 . . . . 0.0 109.331 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.8 t -88.25 -3.84 58.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 110.42 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -66.53 -36.48 91.5 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.497 1.123 . . . . 0.0 111.025 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 64.1 mmt-85 -101.48 131.95 22.39 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.463 0.743 . . . . 0.0 110.256 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -74.02 -21.46 18.23 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.417 1.746 . . . . 0.0 110.943 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -71.54 -33.25 68.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.437 1.086 . . . . 0.0 110.278 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.87 ' O ' HD11 ' A' ' 61' ' ' LEU . 69.8 t90 -71.89 -35.46 69.74 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.572 1.17 . . . . 0.0 107.983 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 7.1 mm -70.49 -38.23 72.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.57 1.169 . . . . 0.0 109.295 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 73.5 t-105 -68.28 -36.91 80.11 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 1.049 ' CB ' HD13 ' A' ' 61' ' ' LEU . 3.7 tt -66.63 -43.97 83.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 1.079 ' HB2' HD21 ' A' ' 61' ' ' LEU . . . -63.99 -38.19 90.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.095 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.748 ' N ' ' OH ' ' A' ' 57' ' ' TYR . 3.8 tt -65.68 -40.29 92.2 Favored 'General case' 0 C--N 1.327 -0.373 0 O-C-N 124.547 1.155 . . . . 0.0 109.322 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.85 -40.57 95.59 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.484 1.115 . . . . 0.0 111.015 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' THR . . . . . 1.036 ' N ' ' CZ ' ' A' ' 57' ' ' TYR . 43.6 m -68.01 -35.13 77.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 0.787 . . . . 0.0 110.374 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.29 -35.12 66.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.411 1.069 . . . . 0.0 109.268 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 58.2 tp -66.25 -53.13 40.58 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.743 ' SD ' ' HB1' ' A' ' 53' ' ' ALA . 67.3 mtm -64.11 -37.95 89.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 110.96 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.409 ' HA3' ' CD1' ' A' ' 54' ' ' PHE . . . -63.83 -41.57 98.77 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.484 1.115 . . . . 0.0 110.97 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 63.4 tp -67.84 -39.36 83.86 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.495 0.762 . . . . 0.0 109.254 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -62.92 -42.93 99.58 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.543 1.152 . . . . 0.0 110.976 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.798 HG23 ' HG2' ' A' ' 50' ' ' PRO . 56.1 m -67.83 -38.88 83.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 0.749 . . . . 0.0 110.412 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 16.0 tp -63.38 -45.62 90.27 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.556 1.16 . . . . 0.0 109.27 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 65.3 t80 -64.1 -37.82 88.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 111.029 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.426 ' CZ ' ' N ' ' A' ' 47' ' ' THR . 92.8 t80 -65.01 -38.34 90.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.985 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.759 HD23 HG21 ' A' ' 47' ' ' THR . 21.1 mt -67.98 -43.98 77.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.438 1.087 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 38.0 t -64.21 -35.32 73.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.268 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.5 ttmm -66.89 -41.86 86.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.29 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 1.373 ' CA ' ' OH ' ' A' ' 43' ' ' TYR . . . -64.76 -42.17 97.25 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.379 1.049 . . . . 0.0 110.998 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -70.37 -33.23 71.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 0.75 . . . . 0.0 111.03 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.446 ' O ' ' C ' ' A' ' 34' ' ' VAL . . . -74.26 -33.82 55.98 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.478 1.111 . . . . 0.0 110.95 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.479 HG22 ' O ' ' A' ' 34' ' ' VAL . 7.1 p . . . . . 0 C--N 1.324 -0.535 0 O-C-N 124.582 0.813 . . . . 0.0 109.253 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.455 -0.736 0 N-CA-C 111.032 -0.411 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -163.03 -48.04 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.605 1.19 . . . . 0.0 109.464 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.52 -38.65 85.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.654 1.221 . . . . 0.0 109.433 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 39.2 mmtm -70.4 -35.6 73.56 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.497 1.123 . . . . 0.0 109.426 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 53.2 mtpt -65.38 -44.18 88.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 109.357 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 84.0 t80 -64.48 -42.5 95.84 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 124.58 1.175 . . . . 0.0 111.088 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 1.373 ' OH ' ' CA ' ' A' ' 31' ' ' GLY . 85.4 t80 -64.16 -40.76 96.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.576 1.173 . . . . 0.0 110.961 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.27 -45.85 91.44 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.461 1.101 . . . . 0.0 109.399 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 50.2 mt -63.26 -37.51 79.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.394 1.059 . . . . 0.0 109.331 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.411 ' C ' ' CZ ' ' A' ' 27' ' ' PHE . 97.7 m -70.27 -21.53 62.96 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.621 1.2 . . . . 0.0 110.448 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.759 HG21 HD23 ' A' ' 28' ' ' LEU . 87.6 m -91.48 -16.82 26.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.632 1.207 . . . . 0.0 110.453 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.496 HD13 ' CB ' ' A' ' 51' ' ' ALA . 3.6 mm? -101.96 -4.14 26.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.623 1.202 . . . . 0.0 109.453 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.551 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 0.9 OUTLIER -64.7 -49.52 69.35 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.616 1.198 . . . . 0.0 109.316 -179.925 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.798 ' HG2' HG23 ' A' ' 24' ' ' THR . 18.1 Cg_endo -75.11 -18.17 18.71 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.552 1.817 . . . . 0.0 110.964 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.642 ' CA ' HG21 ' A' ' 24' ' ' THR . . . -72.97 -46.39 52.57 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 124.546 1.153 . . . . 0.0 109.248 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.5 mp -72.12 -36.84 57.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.384 1.052 . . . . 0.0 109.246 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.743 ' HB1' ' SD ' ' A' ' 20' ' ' MET . . . -62.12 -44.53 96.44 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.397 1.06 . . . . 0.0 109.286 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.821 ' HD1' ' O ' ' A' ' 17' ' ' THR . 88.7 t80 -66.73 -39.48 87.98 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.441 1.088 . . . . 0.0 110.992 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 73.9 m -62.34 -41.49 98.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.417 1.073 . . . . 0.0 110.509 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -69.85 -38.73 76.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.595 1.184 . . . . 0.0 111.045 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 1.055 ' OH ' ' C ' ' A' ' 14' ' ' ALA . 86.1 t80 -64.87 -32.0 73.5 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.009 -0.996 . . . . 0.0 110.923 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -82.9 -31.41 27.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.39 1.056 . . . . 0.0 109.439 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 39.3 t -75.72 -7.98 55.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.415 1.072 . . . . 0.0 109.946 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 26.2 ttt -110.94 -51.25 2.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.57 1.168 . . . . 0.0 111.063 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 1.079 HD21 ' HB2' ' A' ' 14' ' ' ALA . 55.8 tp -54.58 -65.25 0.61 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.404 1.065 . . . . 0.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.9 tp -73.89 -31.96 63.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.555 1.16 . . . . 0.0 109.337 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 80.6 88.57 0.56 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.513 1.133 . . . . 0.0 111.071 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -136.7 16.97 3.09 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.385 0.697 . . . . 0.0 111.029 -179.797 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -177.67 -55.15 0.07 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.476 1.11 . . . . 0.0 111.127 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.92 -42.51 97.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.628 0.84 . . . . 0.0 109.366 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 96.3 m -86.09 -41.97 14.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 110.328 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 60.5 mtt -87.62 84.44 7.1 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 124.338 1.024 . . . . 0.0 110.929 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 5.5 m -98.23 152.49 38.02 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.262 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo . . . . . 0 C--N 1.362 1.242 0 O-C-N 124.549 1.815 . . . . 0.0 110.947 -179.994 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -66.94 -44.52 80.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.536 1.147 . . . . 0.0 110.399 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 38.8 mm -95.03 121.83 45.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.541 1.151 . . . . 0.0 109.234 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.6 t -130.8 21.64 5.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.147 . . . . 0.0 110.385 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -60.91 -49.48 78.1 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.428 1.08 . . . . 0.0 110.945 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 8.2 ptp85 -60.89 155.23 54.66 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.471 0.747 . . . . 0.0 110.276 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_endo -89.84 0.35 5.66 Favored 'Trans proline' 0 C--N 1.361 1.23 0 O-C-N 124.51 1.795 . . . . 0.0 111.005 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -69.5 -34.32 74.14 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.495 1.122 . . . . 0.0 110.225 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 72.7 t90 -73.69 -32.86 64.15 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 8.5 mm -71.29 -37.73 66.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.277 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 76.1 t-105 -69.96 -36.89 75.61 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.495 1.122 . . . . 0.0 108.029 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 1.552 HD22 ' CD2' ' A' ' 61' ' ' LEU . 3.7 tt -66.38 -43.51 85.71 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.506 1.129 . . . . 0.0 109.347 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.62 -38.68 91.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.428 1.08 . . . . 0.0 109.28 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.9 tt -65.1 -40.62 94.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.439 1.087 . . . . 0.0 109.246 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.01 -42.47 96.74 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.391 1.057 . . . . 0.0 111.009 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.944 HG23 ' HB3' ' A' ' 57' ' ' TYR . 41.3 m -66.22 -37.0 84.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.434 0.726 . . . . 0.0 110.372 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.84 -37.49 76.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.158 . . . . 0.0 109.278 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.5 tt -65.52 -45.58 82.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.198 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.669 ' O ' ' HB2' ' A' ' 50' ' ' PRO . 78.6 mtp -64.28 -42.15 96.56 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.478 1.111 . . . . 0.0 111.015 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -63.9 -39.6 97.5 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.463 1.102 . . . . 0.0 110.949 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 60.5 tp -67.6 -39.96 84.76 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.457 0.74 . . . . 0.0 109.299 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.64 -42.93 98.58 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.481 1.113 . . . . 0.0 111.006 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' THR . . . . . 1.176 ' CA ' ' HG2' ' A' ' 50' ' ' PRO . 45.1 m -67.27 -39.86 86.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 0.773 . . . . 0.0 110.416 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 59.0 tp -63.01 -45.82 90.57 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.416 1.072 . . . . 0.0 109.345 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 69.1 t80 -63.59 -37.13 86.16 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.456 1.097 . . . . 0.0 111.032 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.496 ' CZ ' ' C ' ' A' ' 46' ' ' THR . 88.2 t80 -66.77 -33.92 76.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.576 1.173 . . . . 0.0 111.028 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 22.2 mt -73.96 -42.32 60.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.565 1.165 . . . . 0.0 109.307 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 23.8 t -62.17 -44.68 99.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.516 1.135 . . . . 0.0 109.273 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.9 mmmm -73.06 -28.1 62.12 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.808 ' HA2' ' OH ' ' A' ' 43' ' ' TYR . . . -62.83 -62.08 5.85 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.508 1.13 . . . . 0.0 110.966 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 18.2 ptp -71.26 -19.33 62.37 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.462 0.742 . . . . 0.0 111.103 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -83.99 -6.4 86.72 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.507 1.13 . . . . 0.0 111.027 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 41.9 t . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.511 0.771 . . . . 0.0 109.343 -179.925 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo . . . . . 0 N--CA 1.454 -0.813 0 N-CA-C 110.962 -0.438 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -70.15 -33.28 71.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.378 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -71.21 -39.47 71.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 114.958 -1.019 . . . . 0.0 109.311 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.8 mmmp? -68.71 -36.11 78.02 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.138 . . . . 0.0 109.146 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 7.4 tppt? -67.48 -46.11 73.95 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.525 1.141 . . . . 0.0 109.157 -179.726 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -62.64 -39.8 94.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.692 1.245 . . . . 0.0 110.863 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.808 ' OH ' ' HA2' ' A' ' 31' ' ' GLY . 83.8 t80 -67.08 -39.29 86.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.321 1.013 . . . . 0.0 111.006 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.1 -46.06 89.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.569 1.168 . . . . 0.0 109.242 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 47.7 mt -62.6 -41.91 93.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 O-C-N 124.482 1.114 . . . . 0.0 109.24 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.496 ' C ' ' CZ ' ' A' ' 27' ' ' PHE . 96.7 m -65.44 -26.78 68.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.587 1.18 . . . . 0.0 110.421 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 93.8 m -87.8 -16.45 34.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.534 1.146 . . . . 0.0 110.486 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 24.8 mt -104.46 10.39 35.24 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.664 1.227 . . . . 0.0 109.285 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.562 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 1.0 OUTLIER -60.93 -49.24 89.99 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.565 1.166 . . . . 0.0 109.18 -179.936 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 1.176 ' HG2' ' CA ' ' A' ' 24' ' ' THR . 18.3 Cg_endo -74.95 -23.75 13.6 Favored 'Trans proline' 0 C--N 1.358 1.049 0 O-C-N 124.541 1.811 . . . . 0.0 110.99 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 1.045 ' CB ' HG21 ' A' ' 24' ' ' THR . . . -70.64 -40.82 72.86 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 6.1 mm -73.81 -38.7 51.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.084 . . . . 0.0 109.333 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.475 ' O ' ' HE1' ' A' ' 20' ' ' MET . . . -62.17 -41.9 98.75 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.575 1.172 . . . . 0.0 109.133 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.784 ' HD1' ' O ' ' A' ' 17' ' ' THR . 86.7 t80 -68.37 -39.55 81.73 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.438 1.086 . . . . 0.0 111.092 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 54.2 m -62.28 -43.02 99.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.415 1.072 . . . . 0.0 110.32 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 81.7 mtp -68.04 -43.58 78.39 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.488 1.118 . . . . 0.0 110.842 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.972 ' CE1' ' HG ' ' A' ' 13' ' ' LEU . 78.1 t80 -62.65 -36.46 82.91 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.672 1.233 . . . . 0.0 111.039 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 8.1 tp -74.92 -34.76 62.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.585 1.178 . . . . 0.0 109.329 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 47.3 t -74.36 -6.86 50.55 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 0.0 110.016 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 49.3 ttm -107.25 -41.53 5.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.584 1.177 . . . . 0.0 111.04 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 1.552 ' CD2' HD22 ' A' ' 13' ' ' LEU . 0.2 OUTLIER -61.12 -64.45 0.95 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.605 1.19 . . . . 0.0 109.366 -179.929 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 9.8 mt -74.27 -34.9 63.71 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.385 1.053 . . . . 0.0 109.19 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 88.08 95.0 0.98 Allowed Glycine 0 CA--C 1.533 1.167 0 O-C-N 124.296 0.997 . . . . 0.0 110.986 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -144.01 19.66 1.78 Allowed 'General case' 0 C--N 1.322 -0.599 0 O-C-N 124.527 0.781 . . . . 0.0 111.061 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 172.78 -49.55 0.17 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.54 1.15 . . . . 0.0 110.995 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -70.95 -61.97 1.57 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 0.788 . . . . 0.0 109.283 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 19.8 m -78.6 -45.22 22.14 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.462 1.101 . . . . 0.0 110.28 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 24.6 mmt -100.88 80.11 2.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.626 1.204 . . . . 0.0 111.019 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.559 ' N ' ' CD ' ' A' ' 70' ' ' PRO . 2.1 t -60.95 -49.19 90.19 Favored Pre-proline 0 C--N 1.322 -0.587 0 O-C-N 124.706 1.254 . . . . 0.0 109.434 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.559 ' CD ' ' N ' ' A' ' 69' ' ' VAL . 18.6 Cg_endo . . . . . 0 C--N 1.36 1.152 0 O-C-N 124.395 1.734 . . . . 0.0 110.994 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.351 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -153.99 132.89 12.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 110.31 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 39.7 mm -91.58 94.26 4.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.335 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.0 t -129.14 20.48 5.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 110.39 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -86.87 -50.71 3.62 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.497 1.123 . . . . 0.0 110.997 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 30.9 mmm-85 -90.43 124.54 62.5 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.535 0.785 . . . . 0.0 110.323 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -69.81 -20.58 34.4 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.47 1.774 . . . . 0.0 111.018 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -71.27 -34.54 70.8 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.52 1.137 . . . . 0.0 110.34 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 1.434 ' CD1' ' CD1' ' A' ' 61' ' ' LEU . 71.2 t90 -71.16 -35.41 71.64 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 107.967 -1.124 . . . . 0.0 107.967 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 7.4 mm -70.98 -37.8 69.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 62.9 t90 -68.15 -37.83 81.48 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.918 -1.142 . . . . 0.0 107.918 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 1.644 ' CB ' HD23 ' A' ' 61' ' ' LEU . 3.5 tt -66.85 -43.3 84.0 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.58 -38.61 91.78 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.5 tp -65.34 -41.4 93.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.574 1.171 . . . . 0.0 109.383 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.03 -40.44 97.08 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.534 1.146 . . . . 0.0 111.031 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' THR . . . . . 1.497 ' OG1' ' CD1' ' A' ' 57' ' ' TYR . 44.2 m -68.2 -35.54 78.15 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.423 0.72 . . . . 0.0 110.297 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.68 -34.08 66.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.268 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 57.9 tp -67.25 -52.38 41.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 109.301 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.958 ' SD ' ' HB1' ' A' ' 53' ' ' ALA . 65.5 mtm -65.32 -33.9 77.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 111.061 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.571 ' HA3' ' CD1' ' A' ' 54' ' ' PHE . . . -67.75 -41.85 88.15 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.594 1.184 . . . . 0.0 111.048 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 62.7 tp -68.3 -40.87 81.59 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.564 0.802 . . . . 0.0 109.282 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.56 -39.24 97.41 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.462 1.101 . . . . 0.0 111.001 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' THR . . . . . 1.373 ' OG1' ' CB ' ' A' ' 50' ' ' PRO . 92.7 m -69.82 -39.98 76.18 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.453 0.737 . . . . 0.0 110.43 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.7 tt -64.12 -43.46 95.22 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 124.429 1.08 . . . . 0.0 109.352 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 81.4 t80 -65.22 -37.23 86.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 111.03 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 1.045 ' HD2' HG23 ' A' ' 47' ' ' THR . 92.1 t80 -66.3 -36.38 82.81 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.363 1.04 . . . . 0.0 111.075 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.888 HD23 HG21 ' A' ' 47' ' ' THR . 21.8 mt -70.57 -44.16 67.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.541 1.15 . . . . 0.0 109.3 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 33.6 t -64.25 -36.82 78.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 0.0 109.36 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -71.33 -35.12 71.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -67.69 -38.38 89.87 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.496 1.123 . . . . 0.0 111.135 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -77.2 -35.97 55.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 0.764 . . . . 0.0 111.008 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.455 ' O ' ' C ' ' A' ' 34' ' ' VAL . . . -72.08 -65.9 2.24 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.432 1.083 . . . . 0.0 110.991 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.455 ' C ' ' O ' ' A' ' 33' ' ' GLY . 2.7 p . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.493 0.76 . . . . 0.0 109.27 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.454 -0.848 0 N-CA-C 111.08 -0.392 . . . . 0.0 111.08 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -157.5 -50.73 0.07 Allowed 'General case' 0 C--N 1.327 -0.397 0 O-C-N 124.448 1.092 . . . . 0.0 109.239 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.02 -53.76 44.97 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.545 1.153 . . . . 0.0 109.339 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 60.3 mtpt -67.36 -28.37 67.89 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.535 1.147 . . . . 0.0 109.364 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.8 tppt? -64.33 -49.61 71.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.602 1.189 . . . . 0.0 109.412 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -62.87 -43.76 97.92 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.537 1.148 . . . . 0.0 110.794 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 87.1 t80 -61.14 -41.41 96.68 Favored 'General case' 0 C--N 1.323 -0.582 0 O-C-N 124.557 1.161 . . . . 0.0 110.854 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.66 -44.38 97.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.595 1.184 . . . . 0.0 109.332 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 44.9 mt -63.91 -39.21 84.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 O-C-N 124.612 1.195 . . . . 0.0 109.25 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.482 ' C ' ' CZ ' ' A' ' 27' ' ' PHE . 48.9 m -70.35 -18.82 63.08 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.661 1.226 . . . . 0.0 110.459 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' THR . . . . . 1.045 HG23 ' HD2' ' A' ' 27' ' ' PHE . 97.6 m -93.67 -17.3 23.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 110.334 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.526 HD13 ' HB3' ' A' ' 51' ' ' ALA . 3.5 mm? -101.86 -6.94 22.94 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.144 . . . . 0.0 109.33 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.548 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 0.9 OUTLIER -63.47 -49.49 77.98 Favored Pre-proline 0 N--CA 1.452 -0.362 0 O-C-N 124.513 1.133 . . . . 0.0 109.413 -179.932 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 1.373 ' CB ' ' OG1' ' A' ' 24' ' ' THR . 18.6 Cg_endo -74.99 -21.06 16.28 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.327 1.698 . . . . 0.0 111.064 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.773 ' CA ' HG21 ' A' ' 24' ' ' THR . . . -73.07 -41.5 64.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.601 1.188 . . . . 0.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 49.9 mt -72.31 -37.28 57.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 O-C-N 124.41 1.069 . . . . 0.0 109.37 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.958 ' HB1' ' SD ' ' A' ' 20' ' ' MET . . . -64.05 -42.7 96.93 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.417 1.073 . . . . 0.0 109.348 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.98 ' CD1' ' O ' ' A' ' 17' ' ' THR . 50.6 t80 -66.51 -37.81 85.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.133 . . . . 0.0 111.103 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 94.6 m -67.23 -42.42 84.05 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.56 1.162 . . . . 0.0 110.377 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 79.0 mtp -67.2 -37.42 83.61 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.547 1.154 . . . . 0.0 111.088 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 1.497 ' CD1' ' OG1' ' A' ' 17' ' ' THR . 27.4 t80 -61.1 -39.07 88.57 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.549 1.156 . . . . 0.0 111.027 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 1.041 ' HG ' HG21 ' A' ' 17' ' ' THR . 20.5 mt -77.48 -30.61 53.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.611 1.194 . . . . 0.0 109.208 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 22.7 t -75.13 -6.8 51.5 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.442 1.089 . . . . 0.0 109.929 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' MET . . . . . 1.298 ' CE ' ' CD1' ' A' ' 13' ' ' LEU . 49.6 ttp -110.03 -50.76 2.94 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.499 1.124 . . . . 0.0 110.963 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 1.644 HD23 ' CB ' ' A' ' 13' ' ' LEU . 0.2 OUTLIER -57.4 -61.96 2.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.306 1.004 . . . . 0.0 109.29 -179.89 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.5 mt -74.26 -33.44 63.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.356 1.035 . . . . 0.0 109.226 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 79.76 91.86 0.42 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.363 1.04 . . . . 0.0 111.032 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -143.06 18.99 1.94 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 0.752 . . . . 0.0 111.015 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 176.57 -53.03 0.11 Allowed Glycine 0 CA--C 1.532 1.141 0 CA-C-N 114.868 -1.06 . . . . 0.0 110.938 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.7 -60.55 2.32 Favored 'General case' 0 C--N 1.323 -0.572 0 O-C-N 124.623 0.837 . . . . 0.0 109.28 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 27.2 m -78.98 -46.84 17.43 Favored 'General case' 0 C--N 1.322 -0.599 0 O-C-N 124.602 1.188 . . . . 0.0 110.405 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 25.8 mmt -102.52 83.38 2.28 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.494 1.121 . . . . 0.0 110.836 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.548 ' N ' ' CD ' ' A' ' 70' ' ' PRO . 1.9 t -60.29 -49.41 90.65 Favored Pre-proline 0 C--N 1.324 -0.54 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.548 ' CD ' ' N ' ' A' ' 69' ' ' VAL . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.161 0 O-C-N 124.425 1.75 . . . . 0.0 110.982 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo . . . . . 0 N--CA 1.453 -0.873 0 N-CA-C 111.132 -0.372 . . . . 0.0 111.132 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -69.04 -38.01 78.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.57 1.169 . . . . 0.0 110.358 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . 0.931 ' CE2' HD11 ' A' ' 61' ' ' LEU . 69.0 t90 -69.04 -35.25 76.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.58 1.175 . . . . 0.0 108.026 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 8.2 mm -69.4 -36.87 73.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.579 1.174 . . . . 0.0 109.257 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 75.5 t-105 -68.25 -35.27 77.65 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.547 1.155 . . . . 0.0 107.99 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 1.565 HD23 ' CD1' ' A' ' 57' ' ' TYR . 1.3 tt -67.53 -47.19 70.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.269 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.98 -38.11 87.35 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 0.0 109.187 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.8 tt -65.59 -41.08 93.23 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.506 1.129 . . . . 0.0 109.345 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.51 -40.8 97.96 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.529 1.143 . . . . 0.0 111.008 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.785 HG23 ' HB3' ' A' ' 57' ' ' TYR . 32.2 m -67.95 -37.08 81.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 0.763 . . . . 0.0 110.42 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.17 -35.82 74.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.442 1.089 . . . . 0.0 109.349 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.5 tt -66.7 -46.43 75.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.616 1.197 . . . . 0.0 109.317 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.896 ' O ' ' HB2' ' A' ' 50' ' ' PRO . 62.8 mmm -64.81 -39.57 93.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 111.036 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -66.76 -38.98 93.49 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.437 1.086 . . . . 0.0 110.96 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 64.5 tp -66.16 -46.25 78.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 0.775 . . . . 0.0 109.307 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -62.4 -39.12 97.37 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.525 1.14 . . . . 0.0 110.981 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 1.315 ' CA ' ' HG2' ' A' ' 50' ' ' PRO . 87.3 m -67.93 -34.9 77.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.435 0.727 . . . . 0.0 110.359 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.5 tt -62.61 -49.51 74.93 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -62.59 -37.18 85.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.575 1.172 . . . . 0.0 110.987 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 1.145 ' CD2' ' O ' ' A' ' 47' ' ' THR . 85.7 t80 -65.34 -35.06 79.82 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.136 . . . . 0.0 111.015 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.541 HD21 ' CD1' ' A' ' 48' ' ' LEU . 25.7 mt -72.76 -40.18 66.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.38 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 28.7 t -64.56 -41.6 92.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 53.8 mttp -72.75 -30.57 64.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -66.71 -45.46 84.14 Favored Glycine 0 CA--C 1.528 0.902 0 O-C-N 124.427 1.08 . . . . 0.0 110.962 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 72.1 mtm . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.501 0.765 . . . . 0.0 111.001 -179.971 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 6.7 mm -64.47 -42.36 95.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.5 1.125 . . . . 0.0 109.245 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 1.057 ' C ' ' CZ ' ' A' ' 27' ' ' PHE . 64.0 m -60.81 -29.94 69.77 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.442 1.089 . . . . 0.0 110.447 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 1.145 ' O ' ' CD2' ' A' ' 27' ' ' PHE . 59.1 m -85.95 -21.8 27.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.474 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.541 ' CD1' HD21 ' A' ' 28' ' ' LEU . 6.5 mp -102.61 19.07 19.78 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.643 1.214 . . . . 0.0 109.207 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.56 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 1.0 OUTLIER -60.35 -49.18 91.63 Favored Pre-proline 0 C--N 1.324 -0.54 0 O-C-N 124.515 1.134 . . . . 0.0 109.259 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 1.315 ' HG2' ' CA ' ' A' ' 24' ' ' THR . 18.4 Cg_endo -74.94 -24.29 13.09 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.36 1.716 . . . . 0.0 111.007 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 1.059 ' CA ' HG21 ' A' ' 24' ' ' THR . . . -69.78 -42.1 74.23 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.461 1.101 . . . . 0.0 109.299 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 46.4 mt -72.98 -39.31 57.73 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.442 0 O-C-N 124.389 1.056 . . . . 0.0 109.362 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.64 -40.66 92.79 Favored 'General case' 0 N--CA 1.45 -0.451 0 O-C-N 124.431 1.082 . . . . 0.0 109.334 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.723 ' CD1' HG22 ' A' ' 17' ' ' THR . 83.9 t80 -67.8 -41.75 82.68 Favored 'General case' 0 N--CA 1.449 -0.516 0 O-C-N 124.64 1.212 . . . . 0.0 111.081 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 85.3 m -61.76 -39.8 92.9 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.452 1.095 . . . . 0.0 110.429 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 81.9 mtp -69.45 -39.19 77.93 Favored 'General case' 0 C--N 1.327 -0.378 0 O-C-N 124.547 1.155 . . . . 0.0 111.131 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 1.565 ' CD1' HD23 ' A' ' 13' ' ' LEU . 67.6 t80 -72.11 -28.33 63.21 Favored 'General case' 0 C--N 1.322 -0.602 0 O-C-N 124.541 1.15 . . . . 0.0 110.931 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 8.8 tp -78.15 -41.27 35.36 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.413 1.071 . . . . 0.0 109.373 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 92.9 p -60.72 -25.69 66.62 Favored 'General case' 0 N--CA 1.45 -0.468 0 O-C-N 124.396 1.06 . . . . 0.0 110.091 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 1.45 ' CE ' HD11 ' A' ' 13' ' ' LEU . 54.4 ttp -92.8 -43.74 8.86 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.56 1.162 . . . . 0.0 111.106 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.931 HD11 ' CE2' ' A' ' 10' ' ' TRP . 30.4 tp -58.29 -60.26 4.04 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.478 1.111 . . . . 0.0 109.47 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 10.3 mp -70.5 -34.1 71.97 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 73.78 43.66 34.42 Favored Glycine 0 CA--C 1.533 1.163 0 O-C-N 124.488 1.118 . . . . 0.0 110.94 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 6.1 p90 -109.49 -17.5 13.74 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.699 0.882 . . . . 0.0 110.867 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -127.12 5.11 7.32 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.524 1.14 . . . . 0.0 110.993 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.539 0.787 . . . . 0.0 109.382 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo . . . . . 0 N--CA 1.453 -0.886 0 N-CA-C 111.063 -0.399 . . . . 0.0 111.063 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.91 -37.03 81.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.399 1.062 . . . . 0.0 110.331 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . 0.639 ' CG ' HD11 ' A' ' 61' ' ' LEU . 86.7 t90 -72.9 -32.87 65.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.616 1.198 . . . . 0.0 108.026 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 8.3 mm -70.58 -37.14 68.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.575 1.172 . . . . 0.0 109.365 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 53.9 t90 -70.2 -37.54 75.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.597 1.186 . . . . 0.0 108.067 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 1.228 HD23 ' CB ' ' A' ' 61' ' ' LEU . 10.4 tp -66.28 -43.82 85.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.088 . . . . 0.0 109.329 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.849 ' HB2' HD21 ' A' ' 61' ' ' LEU . . . -63.87 -40.08 95.7 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.573 1.17 . . . . 0.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 59.8 tp -64.31 -40.23 95.52 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.606 1.191 . . . . 0.0 109.309 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.76 -42.8 96.96 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.53 1.144 . . . . 0.0 111.008 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 1.056 HG21 ' HG ' ' A' ' 58' ' ' LEU . 37.1 m -66.61 -36.04 81.64 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.464 0.743 . . . . 0.0 110.421 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.06 -37.77 75.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.337 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.3 tt -65.57 -45.76 82.06 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.536 1.148 . . . . 0.0 109.322 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 1.506 ' CE ' ' CB ' ' A' ' 53' ' ' ALA . 79.3 mtp -64.31 -41.51 96.81 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 110.938 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.555 ' HA3' ' CD1' ' A' ' 54' ' ' PHE . . . -64.32 -39.91 97.4 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.441 1.088 . . . . 0.0 111.007 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 61.5 tp -67.66 -39.34 84.56 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.532 0.784 . . . . 0.0 109.371 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.84 -42.69 98.37 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.494 1.121 . . . . 0.0 110.983 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 1.214 ' OG1' ' CB ' ' A' ' 50' ' ' PRO . 43.7 m -67.66 -40.3 84.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 0.784 . . . . 0.0 110.45 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.7 tt -62.64 -45.5 92.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.363 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -63.88 -37.54 87.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 110.966 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 1.243 ' CD2' HG23 ' A' ' 47' ' ' THR . 88.6 t80 -66.51 -33.88 76.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.542 1.151 . . . . 0.0 111.053 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.822 HD23 HG21 ' A' ' 47' ' ' THR . 22.7 mt -74.65 -41.94 59.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.313 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 17.3 t -61.84 -45.04 99.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.113 . . . . 0.0 109.314 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.8 mmmm -71.94 -33.46 68.24 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.445 1.091 . . . . 0.0 109.337 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.37 -45.29 96.44 Favored Glycine 0 CA--C 1.532 1.146 0 O-C-N 124.42 1.075 . . . . 0.0 110.916 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 70.6 mtm . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.553 0.796 . . . . 0.0 111.024 -179.965 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.4 mp -63.76 -38.33 82.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 O-C-N 124.51 1.131 . . . . 0.0 109.266 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 37.8 m -69.58 -19.79 63.66 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.453 1.096 . . . . 0.0 110.556 179.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 1.243 HG23 ' CD2' ' A' ' 27' ' ' PHE . 96.0 m -93.74 -16.98 23.66 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.529 1.143 . . . . 0.0 110.432 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.517 HD13 ' HB3' ' A' ' 51' ' ' ALA . 3.5 mm? -101.46 -6.44 23.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.579 1.175 . . . . 0.0 109.348 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.541 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 0.9 OUTLIER -63.95 -49.87 72.72 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.428 1.08 . . . . 0.0 109.371 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 1.214 ' CB ' ' OG1' ' A' ' 24' ' ' THR . 18.3 Cg_endo -74.98 -22.14 15.16 Favored 'Trans proline' 0 C--N 1.361 1.224 0 O-C-N 124.577 1.83 . . . . 0.0 110.953 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.823 ' CA ' HG21 ' A' ' 24' ' ' THR . . . -71.18 -44.3 65.74 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.684 1.24 . . . . 0.0 109.266 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 6.1 mm -70.51 -37.9 71.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 109.345 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 1.506 ' CB ' ' CE ' ' A' ' 20' ' ' MET . . . -62.1 -41.09 97.87 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.242 0.964 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.917 ' CD1' ' O ' ' A' ' 17' ' ' THR . 48.2 t80 -66.31 -41.36 89.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.329 1.018 . . . . 0.0 110.943 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 57.3 m -65.26 -39.6 92.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.342 1.026 . . . . 0.0 110.234 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 76.1 mtp -69.6 -37.17 76.8 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.466 1.103 . . . . 0.0 110.951 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.873 ' CZ ' ' N ' ' A' ' 17' ' ' THR . 40.0 t80 -62.79 -33.9 76.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.432 1.083 . . . . 0.0 111.154 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 1.056 ' HG ' HG21 ' A' ' 17' ' ' THR . 18.3 mt -83.07 -30.64 27.84 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.444 1.09 . . . . 0.0 109.286 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 42.7 t -72.48 -10.81 60.25 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.568 1.167 . . . . 0.0 110.008 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 23.7 ttt -110.99 -50.15 2.97 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 0.0 110.996 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 1.228 ' CB ' HD23 ' A' ' 13' ' ' LEU . 44.5 tp -54.22 -62.92 1.34 Allowed 'General case' 0 C--N 1.327 -0.399 0 O-C-N 124.464 1.102 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 9.0 mt -75.85 -31.66 59.42 Favored 'General case' 0 C--N 1.322 -0.61 0 O-C-N 124.679 1.237 . . . . 0.0 109.441 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 79.75 91.95 0.41 Allowed Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.546 1.154 . . . . 0.0 110.932 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -146.16 22.81 1.36 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.422 0.719 . . . . 0.0 110.984 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -176.0 -53.95 0.06 OUTLIER Glycine 0 CA--C 1.532 1.105 0 O-C-N 124.449 1.093 . . . . 0.0 111.101 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 10.2 mt . . . . . 0 C--N 1.323 -0.552 0 O-C-N 124.761 0.918 . . . . 0.0 109.217 -179.951 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo . . . . . 0 N--CA 1.453 -0.856 0 N-CA-C 110.985 -0.429 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -71.59 -37.4 71.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.282 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . 0.492 ' CD2' HD11 ' A' ' 61' ' ' LEU . 85.3 t90 -69.21 -34.92 75.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 107.992 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 7.7 mm -70.52 -38.6 74.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.088 . . . . 0.0 109.299 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 73.9 t-105 -68.2 -34.78 76.9 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 1.363 ' CD1' ' CE ' ' A' ' 60' ' ' MET . 12.1 tp -67.31 -45.87 75.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.27 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.867 ' HA ' HD22 ' A' ' 61' ' ' LEU . . . -63.51 -37.53 87.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.263 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.6 tt -65.89 -40.94 92.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.413 1.071 . . . . 0.0 109.374 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.17 -40.22 96.67 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.459 1.1 . . . . 0.0 110.94 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 1.045 ' N ' ' CZ ' ' A' ' 57' ' ' TYR . 41.3 m -68.02 -35.18 77.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 0.796 . . . . 0.0 110.399 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.27 -34.46 65.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.427 1.079 . . . . 0.0 109.341 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 11.9 tp -66.58 -53.12 37.97 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.453 1.095 . . . . 0.0 109.326 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.929 ' SD ' ' HB1' ' A' ' 53' ' ' ALA . 69.3 mtm -64.4 -36.99 85.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 111.003 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -64.41 -41.97 97.83 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.485 1.116 . . . . 0.0 111.047 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 63.2 tp -67.85 -38.99 83.84 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.47 0.747 . . . . 0.0 109.335 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -62.85 -44.53 97.31 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.485 1.116 . . . . 0.0 111.002 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 1.442 ' OG1' ' CB ' ' A' ' 50' ' ' PRO . 52.8 m -66.81 -39.33 87.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.4 0.706 . . . . 0.0 110.427 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.4 tt -62.24 -46.84 87.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.575 1.172 . . . . 0.0 109.32 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 69.2 t80 -64.0 -35.98 82.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.102 . . . . 0.0 110.95 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 1.283 ' HD2' ' CG2' ' A' ' 47' ' ' THR . 76.8 t80 -66.72 -32.0 73.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 110.971 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.885 HD23 HG21 ' A' ' 47' ' ' THR . 21.9 mt -79.13 -37.26 39.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 9.5 t -60.74 -49.14 85.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 109.255 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.8 pttp -78.64 -24.92 44.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.4 -42.0 95.5 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.538 1.149 . . . . 0.0 110.981 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 63.7 mtm . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.563 0.802 . . . . 0.0 111.042 179.99 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.226 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 6.0 mm -62.84 -38.45 81.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.647 ' HB ' ' HZ ' ' A' ' 27' ' ' PHE . 98.8 m -68.99 -26.11 64.86 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.388 1.055 . . . . 0.0 110.329 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 1.283 ' CG2' ' HD2' ' A' ' 27' ' ' PHE . 55.8 m -92.24 -7.92 46.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.142 . . . . 0.0 110.476 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.1 tp -102.59 -7.3 21.93 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.491 1.119 . . . . 0.0 109.253 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.551 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 1.3 t -64.89 -49.45 68.43 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.335 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 1.442 ' CB ' ' OG1' ' A' ' 24' ' ' THR . 18.3 Cg_endo -75.11 -17.81 19.01 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.44 1.758 . . . . 0.0 111.004 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.63 -43.48 69.14 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.642 1.214 . . . . 0.0 109.336 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.4 mp -74.4 -37.82 45.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 109.28 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.929 ' HB1' ' SD ' ' A' ' 20' ' ' MET . . . -61.31 -42.62 98.97 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.446 1.091 . . . . 0.0 109.284 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.523 ' HD1' ' O ' ' A' ' 17' ' ' THR . 83.5 t80 -68.22 -41.44 81.29 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.517 1.136 . . . . 0.0 111.029 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 59.3 m -59.78 -41.81 91.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 110.397 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 83.6 mtp -69.4 -41.31 76.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.564 1.165 . . . . 0.0 111.059 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 1.045 ' CZ ' ' N ' ' A' ' 17' ' ' THR . 76.3 t80 -63.65 -31.76 73.03 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.633 1.208 . . . . 0.0 111.122 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.544 ' CD2' HG21 ' A' ' 17' ' ' THR . 0.1 OUTLIER -81.65 -33.75 31.19 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.609 1.193 . . . . 0.0 109.211 -179.957 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 39.0 t -73.54 -8.26 55.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.346 1.029 . . . . 0.0 109.97 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 1.363 ' CE ' ' CD1' ' A' ' 13' ' ' LEU . 50.5 ttp -110.46 -43.72 3.83 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.532 1.145 . . . . 0.0 111.039 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 1.014 ' HA ' HD23 ' A' ' 13' ' ' LEU . 55.9 tp -56.99 -65.68 0.58 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.566 1.166 . . . . 0.0 109.422 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.8 tp -74.61 -39.09 62.38 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.385 1.053 . . . . 0.0 109.19 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 89.98 86.89 1.32 Allowed Glycine 0 CA--C 1.532 1.096 0 O-C-N 124.423 1.077 . . . . 0.0 111.022 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -113.17 -9.75 13.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.609 0.829 . . . . 0.0 110.984 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -177.8 -43.49 0.07 OUTLIER Glycine 0 CA--C 1.528 0.9 0 O-C-N 124.504 1.127 . . . . 0.0 111.088 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.423 0 O-C-N 124.461 0.742 . . . . 0.0 109.343 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo . . . . . 0 N--CA 1.454 -0.808 0 N-CA-C 110.963 -0.437 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -70.1 -38.65 75.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 110.303 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . 0.763 ' CD2' HD11 ' A' ' 61' ' ' LEU . 58.5 t90 -69.11 -35.75 76.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 107.984 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 6.4 mm -68.74 -38.67 79.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.582 1.177 . . . . 0.0 109.318 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 75.6 t-105 -68.15 -36.24 79.36 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.494 1.121 . . . . 0.0 107.99 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 1.175 HD23 ' CB ' ' A' ' 61' ' ' LEU . 10.1 tp -66.18 -44.39 84.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.264 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 1.195 ' C ' ' OH ' ' A' ' 57' ' ' TYR . . . -64.36 -37.4 87.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.752 ' N ' ' OH ' ' A' ' 57' ' ' TYR . 9.9 tp -65.08 -41.55 94.95 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.462 1.101 . . . . 0.0 109.328 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.56 -40.48 96.09 Favored Glycine 0 CA--C 1.528 0.905 0 O-C-N 124.604 1.19 . . . . 0.0 111.013 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.964 ' N ' ' CZ ' ' A' ' 57' ' ' TYR . 43.4 m -67.77 -34.99 77.89 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.363 0.684 . . . . 0.0 110.441 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.07 -35.46 66.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 109.226 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 58.5 tp -66.0 -53.11 42.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 109.388 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.852 ' SD ' ' HB1' ' A' ' 53' ' ' ALA . 66.9 mtm -63.87 -37.9 89.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 111.005 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -64.12 -40.71 98.34 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.519 1.137 . . . . 0.0 110.992 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 61.6 tp -68.28 -39.66 82.06 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 0.761 . . . . 0.0 109.179 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.06 -43.01 99.44 Favored Glycine 0 CA--C 1.528 0.879 0 O-C-N 124.542 1.151 . . . . 0.0 110.993 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.785 HG23 ' HG2' ' A' ' 50' ' ' PRO . 55.9 m -67.66 -39.8 84.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.4 0.706 . . . . 0.0 110.408 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 61.4 tp -62.66 -46.21 89.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 109.312 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 91.4 t80 -63.02 -38.04 89.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 110.989 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 1.084 ' CD2' HG23 ' A' ' 47' ' ' THR . 88.7 t80 -66.04 -35.17 79.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.118 . . . . 0.0 110.977 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.906 HD23 HG21 ' A' ' 47' ' ' THR . 22.4 mt -72.35 -40.94 66.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 109.333 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 20.4 t -61.52 -46.41 96.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.449 1.093 . . . . 0.0 109.276 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.3 mmpp? -69.28 -33.33 73.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.341 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -61.02 -43.95 98.81 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.612 1.195 . . . . 0.0 110.986 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 73.8 mtm . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.51 0.77 . . . . 0.0 110.916 -179.909 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.4 mp -62.97 -38.63 82.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 O-C-N 124.558 1.161 . . . . 0.0 109.288 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 42.9 m -70.08 -19.39 63.27 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.417 1.073 . . . . 0.0 110.439 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 1.084 HG23 ' CD2' ' A' ' 27' ' ' PHE . 97.2 m -93.37 -17.06 23.97 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.57 1.169 . . . . 0.0 110.254 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.517 HD13 ' HB3' ' A' ' 51' ' ' ALA . 3.5 mm? -101.6 -5.86 24.55 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.536 1.148 . . . . 0.0 109.426 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.547 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 0.9 OUTLIER -64.4 -49.54 71.33 Favored Pre-proline 0 C--N 1.327 -0.41 0 O-C-N 124.469 1.106 . . . . 0.0 109.197 -179.814 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.785 ' HG2' HG23 ' A' ' 24' ' ' THR . 18.4 Cg_endo -75.06 -20.19 16.98 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.487 1.783 . . . . 0.0 111.016 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.66 ' CA ' HG21 ' A' ' 24' ' ' THR . . . -73.38 -42.68 61.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.668 1.23 . . . . 0.0 109.26 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 52.5 mt -73.13 -37.97 53.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.333 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.852 ' HB1' ' SD ' ' A' ' 20' ' ' MET . . . -62.05 -43.57 98.55 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.496 1.122 . . . . 0.0 109.248 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.766 ' HD1' ' O ' ' A' ' 17' ' ' THR . 83.3 t80 -67.31 -41.24 85.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 111.028 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 52.8 m -60.08 -43.24 95.64 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.439 1.087 . . . . 0.0 110.378 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 83.6 mtp -68.64 -40.96 80.04 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.561 1.163 . . . . 0.0 111.087 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 1.195 ' OH ' ' C ' ' A' ' 14' ' ' ALA . 79.5 t80 -63.07 -31.38 72.5 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.571 1.169 . . . . 0.0 111.119 179.813 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.772 ' CD2' HG21 ' A' ' 17' ' ' THR . 0.1 OUTLIER -81.46 -36.04 29.83 Favored 'General case' 0 C--N 1.327 -0.394 0 O-C-N 124.444 1.09 . . . . 0.0 109.334 179.882 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 11.2 t -71.05 -10.12 59.22 Favored 'General case' 0 C--N 1.327 -0.39 0 O-C-N 124.518 1.136 . . . . 0.0 110.127 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 1.09 ' HE2' HD11 ' A' ' 13' ' ' LEU . 56.3 ttp -107.76 -44.72 4.17 Favored 'General case' 0 N--CA 1.453 -0.31 0 O-C-N 124.551 1.157 . . . . 0.0 110.85 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 1.175 ' CB ' HD23 ' A' ' 13' ' ' LEU . 56.1 tp -57.68 -60.0 4.34 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.494 1.121 . . . . 0.0 109.244 -179.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -74.46 -38.19 63.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 89.21 88.81 1.22 Allowed Glycine 0 CA--C 1.531 1.082 0 O-C-N 124.591 1.182 . . . . 0.0 110.872 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -121.26 0.11 10.01 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.618 0.834 . . . . 0.0 111.099 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 177.2 -43.74 0.1 OUTLIER Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.467 1.105 . . . . 0.0 111.126 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 8.9 mp . . . . . 0 N--CA 1.449 -0.49 0 O-C-N 124.453 0.737 . . . . 0.0 109.355 179.972 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_endo . . . . . 0 N--CA 1.452 -0.93 0 N-CA-C 111.041 -0.407 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 51.3 mp0 -67.82 -35.34 78.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.24 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . 0.626 ' NE1' ' O ' ' A' ' 61' ' ' LEU . 48.6 t90 -67.92 -38.9 83.46 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.467 1.104 . . . . 0.0 108.06 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 6.3 mm -67.46 -36.81 77.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 0.0 109.284 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 76.6 t-105 -67.44 -35.09 78.55 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.627 1.205 . . . . 0.0 107.977 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 1.246 HD23 ' CE1' ' A' ' 57' ' ' TYR . 1.3 tt -67.11 -47.7 70.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.339 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 1.286 ' C ' ' OH ' ' A' ' 57' ' ' TYR . . . -61.49 -38.18 86.36 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.359 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.866 ' N ' ' OH ' ' A' ' 57' ' ' TYR . 3.9 tt -65.0 -41.32 95.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.434 ' N ' ' OH ' ' A' ' 57' ' ' TYR . . . -64.17 -42.67 97.89 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.513 1.133 . . . . 0.0 110.995 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 1.126 ' N ' ' CZ ' ' A' ' 57' ' ' TYR . 30.2 m -66.01 -36.95 84.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 0.75 . . . . 0.0 110.457 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.65 -38.09 77.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.446 1.091 . . . . 0.0 109.338 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.5 tt -65.23 -43.88 90.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.345 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 1.564 ' CE ' ' HB1' ' A' ' 53' ' ' ALA . 77.9 mtp -64.14 -45.66 87.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.996 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -63.4 -35.75 92.47 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.532 1.145 . . . . 0.0 111.057 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.5 tt -65.09 -49.3 70.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.568 0.804 . . . . 0.0 109.286 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -61.47 -39.72 97.69 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.464 1.103 . . . . 0.0 110.99 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 1.347 ' OG1' ' CB ' ' A' ' 50' ' ' PRO . 88.9 m -66.66 -34.52 78.05 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.536 0.786 . . . . 0.0 110.469 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.1 tp -62.38 -53.79 49.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -61.45 -36.25 79.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 111.08 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.95 ' CZ ' ' C ' ' A' ' 46' ' ' THR . 90.6 t80 -63.84 -36.87 85.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 110.968 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.613 HD23 HG21 ' A' ' 47' ' ' THR . 23.0 mt -71.54 -40.33 70.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.598 1.186 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 39.3 t -64.32 -38.94 83.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.105 . . . . 0.0 109.375 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 55.7 mttm -73.66 -32.29 63.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.567 1.167 . . . . 0.0 109.335 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -65.26 -45.01 92.81 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.558 1.161 . . . . 0.0 111.023 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 72.7 mtm . . . . . 0 C--N 1.326 -0.421 0 O-C-N 124.395 0.703 . . . . 0.0 111.073 179.953 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.35 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.4 mp -62.99 -39.52 85.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.6 1.188 . . . . 0.0 109.332 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.95 ' C ' ' CZ ' ' A' ' 27' ' ' PHE . 51.2 m -68.06 -25.56 65.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 110.372 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.613 HG21 HD23 ' A' ' 28' ' ' LEU . 55.3 m -92.94 -8.84 42.04 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 124.441 1.088 . . . . 0.0 110.508 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.9 tp -102.22 -7.16 22.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.409 1.068 . . . . 0.0 109.412 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.544 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 1.3 t -65.06 -50.18 63.03 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 109.184 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 1.347 ' CB ' ' OG1' ' A' ' 24' ' ' THR . 18.2 Cg_endo -74.97 -14.6 21.16 Favored 'Trans proline' 0 C--N 1.361 1.235 0 O-C-N 124.525 1.803 . . . . 0.0 110.957 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -73.5 -50.96 18.8 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.605 1.19 . . . . 0.0 109.247 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 37.6 pt -71.53 -30.72 40.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 1.564 ' HB1' ' CE ' ' A' ' 20' ' ' MET . . . -65.57 -45.72 82.23 Favored 'General case' 0 C--N 1.323 -0.577 0 O-C-N 124.619 1.199 . . . . 0.0 109.317 179.82 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.629 ' HD1' ' O ' ' A' ' 17' ' ' THR . 82.2 t80 -67.96 -37.58 81.73 Favored 'General case' 0 C--N 1.322 -0.611 0 O-C-N 124.55 1.156 . . . . 0.0 110.935 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 83.3 m -62.6 -43.68 98.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.402 1.064 . . . . 0.0 110.302 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 80.7 mtp -69.14 -41.23 77.58 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.449 1.093 . . . . 0.0 111.038 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 1.286 ' OH ' ' C ' ' A' ' 14' ' ' ALA . 81.1 t80 -64.99 -32.57 74.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.432 1.083 . . . . 0.0 110.961 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.6 tp -79.48 -35.3 40.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.429 1.081 . . . . 0.0 109.438 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 47.1 t -73.27 -9.17 58.42 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.65 1.219 . . . . 0.0 110.002 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 1.143 ' CE ' HD11 ' A' ' 13' ' ' LEU . 55.6 ttp -108.21 -41.21 4.96 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.517 1.135 . . . . 0.0 110.918 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.972 HD13 ' N ' ' A' ' 14' ' ' ALA . 14.2 tp -59.24 -65.37 0.68 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.0 mt -74.39 -33.95 63.17 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 124.348 1.03 . . . . 0.0 109.286 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 88.13 92.46 1.04 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.577 1.173 . . . . 0.0 111.043 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -142.67 19.38 2.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 0.779 . . . . 0.0 110.909 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 175.07 -52.63 0.13 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.435 1.084 . . . . 0.0 111.119 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.7 mm? . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.645 0.85 . . . . 0.0 109.282 179.984 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo . . . . . 0 N--CA 1.454 -0.85 0 N-CA-C 110.962 -0.438 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -68.98 -40.61 78.71 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.564 1.165 . . . . 0.0 110.362 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . 0.713 ' CE2' HD11 ' A' ' 61' ' ' LEU . 85.9 t90 -71.67 -32.74 68.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 107.992 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 8.5 mm -69.09 -36.78 75.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.566 1.166 . . . . 0.0 109.333 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 75.3 t-105 -69.64 -35.35 75.13 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 1.251 HD23 ' CE1' ' A' ' 57' ' ' TYR . 1.3 tt -66.49 -47.26 73.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.554 1.159 . . . . 0.0 109.29 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.781 ' HA ' HD22 ' A' ' 61' ' ' LEU . . . -61.82 -39.0 90.23 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.405 1.066 . . . . 0.0 109.325 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.9 tt -64.55 -40.96 96.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.242 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.19 -42.18 98.05 Favored Glycine 0 CA--C 1.532 1.097 0 O-C-N 124.524 1.14 . . . . 0.0 110.951 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.986 HG21 ' HG ' ' A' ' 58' ' ' LEU . 33.4 m -66.95 -36.87 83.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.58 0.812 . . . . 0.0 110.392 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.28 -37.64 77.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 11.8 tp -65.47 -46.0 81.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 1.522 ' CE ' ' HB1' ' A' ' 53' ' ' ALA . 78.7 mtp -63.47 -42.2 98.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.401 1.063 . . . . 0.0 110.939 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.478 ' CA ' ' CD1' ' A' ' 54' ' ' PHE . . . -63.95 -39.68 97.54 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.477 1.111 . . . . 0.0 111.037 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.7 tt -67.75 -39.32 84.19 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.457 0.739 . . . . 0.0 109.346 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.4 -42.54 97.6 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.397 1.061 . . . . 0.0 110.965 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 1.23 ' OG1' ' HB2' ' A' ' 50' ' ' PRO . 43.5 m -66.55 -39.99 88.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 0.771 . . . . 0.0 110.37 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 56.5 tp -63.63 -46.26 86.5 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 72.9 t80 -63.02 -37.01 85.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 111.028 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 1.168 ' CD2' HG23 ' A' ' 47' ' ' THR . 86.0 t80 -66.45 -36.61 83.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 111.067 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.773 HD23 HG21 ' A' ' 47' ' ' THR . 20.6 mt -70.41 -42.68 71.32 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.564 1.165 . . . . 0.0 109.347 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 39.1 t -66.55 -34.7 71.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 0.0 109.327 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 27.3 ttpp -71.35 -37.22 71.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -64.9 -49.67 61.94 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.478 1.111 . . . . 0.0 110.985 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 67.0 mtm . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.478 0.752 . . . . 0.0 110.97 -179.984 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.232 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 45.4 mt -63.48 -39.25 84.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.403 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.438 ' C ' ' CZ ' ' A' ' 27' ' ' PHE . 45.5 m -70.47 -18.55 62.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.411 1.069 . . . . 0.0 110.414 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 1.168 HG23 ' CD2' ' A' ' 27' ' ' PHE . 97.4 m -93.96 -17.31 23.08 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.563 1.164 . . . . 0.0 110.48 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.508 HD13 ' HB3' ' A' ' 51' ' ' ALA . 3.5 mm? -101.73 -7.03 22.96 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.517 1.136 . . . . 0.0 109.29 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.545 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 0.9 OUTLIER -63.58 -49.93 75.05 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.588 1.18 . . . . 0.0 109.35 179.931 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 1.23 ' HB2' ' OG1' ' A' ' 24' ' ' THR . 18.4 Cg_endo -74.92 -22.59 14.83 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.523 1.802 . . . . 0.0 111.109 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.814 ' CA ' HG21 ' A' ' 24' ' ' THR . . . -70.37 -45.22 66.48 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.553 1.158 . . . . 0.0 109.274 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 6.5 mm -69.74 -38.91 77.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.69 1.244 . . . . 0.0 109.326 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 1.522 ' HB1' ' CE ' ' A' ' 20' ' ' MET . . . -60.15 -41.09 92.02 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.491 1.119 . . . . 0.0 109.207 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.952 ' CD1' ' O ' ' A' ' 17' ' ' THR . 38.2 t80 -66.84 -38.29 86.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.355 1.034 . . . . 0.0 110.946 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 47.2 m -65.25 -41.14 94.62 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.372 1.045 . . . . 0.0 110.305 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 53.2 mtm -69.26 -37.32 77.87 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.515 1.134 . . . . 0.0 110.996 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 1.251 ' CE1' HD23 ' A' ' 13' ' ' LEU . 38.0 t80 -62.21 -35.17 78.06 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.467 1.104 . . . . 0.0 110.902 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.986 ' HG ' HG21 ' A' ' 17' ' ' THR . 43.5 mt -80.81 -34.73 33.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.558 1.161 . . . . 0.0 109.251 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 44.3 t -65.56 -17.02 64.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 0.0 109.895 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.89 ' SD ' HD11 ' A' ' 13' ' ' LEU . 20.1 ttm -104.9 -46.75 4.21 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 124.552 1.158 . . . . 0.0 111.003 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.781 HD22 ' HA ' ' A' ' 14' ' ' ALA . 46.7 tp -55.32 -62.51 1.63 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.645 1.215 . . . . 0.0 109.424 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 10.8 mt -71.77 -34.14 69.19 Favored 'General case' 0 C--N 1.328 -0.356 0 O-C-N 124.451 1.094 . . . . 0.0 109.319 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 75.75 78.57 0.66 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.565 1.165 . . . . 0.0 111.008 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -142.89 22.36 1.94 Allowed 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.552 0.795 . . . . 0.0 110.962 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -172.47 -53.99 0.04 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.672 1.233 . . . . 0.0 111.021 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.52 0 O-C-N 124.466 0.745 . . . . 0.0 109.338 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo . . . . . 0 N--CA 1.453 -0.857 0 N-CA-C 110.995 -0.425 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -66.24 -36.64 83.53 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.464 1.102 . . . . 0.0 110.27 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . 0.795 ' CE2' HD11 ' A' ' 61' ' ' LEU . 75.0 t90 -69.32 -36.47 77.0 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.072 -1.084 . . . . 0.0 108.072 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 7.4 mm -69.0 -35.51 69.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.612 1.195 . . . . 0.0 109.266 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 63.7 t90 -68.74 -36.59 78.57 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 1.616 HD23 ' CE1' ' A' ' 57' ' ' TYR . 1.1 tt -67.97 -46.07 72.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.267 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.73 -39.35 91.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.417 1.073 . . . . 0.0 109.316 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 60.0 tp -65.37 -41.09 94.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.604 1.19 . . . . 0.0 109.316 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.04 -41.91 98.37 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.488 1.118 . . . . 0.0 110.921 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.817 ' O ' ' HD1' ' A' ' 54' ' ' PHE . 34.7 m -67.0 -36.82 83.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.581 0.812 . . . . 0.0 110.376 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.64 -37.19 76.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.42 1.075 . . . . 0.0 109.21 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.4 tt -65.69 -45.92 81.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.323 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.741 ' O ' ' HB2' ' A' ' 50' ' ' PRO . 78.5 mtp -63.77 -42.65 97.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 111.022 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -63.73 -39.37 97.41 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.46 1.1 . . . . 0.0 111.021 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 61.6 tp -66.98 -40.74 87.49 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.417 0.716 . . . . 0.0 109.288 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.35 -42.7 99.09 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.483 1.115 . . . . 0.0 110.97 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 1.241 ' CA ' ' HG2' ' A' ' 50' ' ' PRO . 37.9 m -66.72 -40.25 88.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 0.748 . . . . 0.0 110.4 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 59.5 tp -63.25 -45.62 90.67 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.467 1.105 . . . . 0.0 109.284 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 73.7 t80 -62.51 -37.55 86.46 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.527 1.142 . . . . 0.0 111.07 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.484 ' CD2' ' O ' ' A' ' 47' ' ' THR . 88.8 t80 -67.99 -34.65 76.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 111.005 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 23.2 mt -72.03 -39.23 69.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.429 1.081 . . . . 0.0 109.387 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 19.5 t -63.7 -42.22 95.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 109.309 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 40.6 mmtm -74.47 -29.71 61.56 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.562 1.163 . . . . 0.0 109.342 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -65.41 -43.31 95.13 Favored Glycine 0 CA--C 1.531 1.081 0 O-C-N 124.538 1.149 . . . . 0.0 110.994 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 72.2 mtm . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.602 0.825 . . . . 0.0 110.999 179.965 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 51.3 mt -62.77 -41.92 94.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 O-C-N 124.394 1.059 . . . . 0.0 109.381 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.416 ' C ' ' CZ ' ' A' ' 27' ' ' PHE . 98.9 m -63.83 -27.82 69.43 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.551 1.157 . . . . 0.0 110.454 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.484 ' O ' ' CD2' ' A' ' 27' ' ' PHE . 90.7 m -87.05 -18.96 29.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.362 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 6.1 mp -103.09 13.28 34.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.562 1.164 . . . . 0.0 109.304 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.566 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 1.0 OUTLIER -60.18 -49.03 92.72 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.396 1.06 . . . . 0.0 109.364 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 1.241 ' HG2' ' CA ' ' A' ' 24' ' ' THR . 18.9 Cg_endo -75.04 -24.15 13.03 Favored 'Trans proline' 0 C--N 1.361 1.223 0 O-C-N 124.456 1.766 . . . . 0.0 111.089 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 1.141 ' CB ' HG21 ' A' ' 24' ' ' THR . . . -70.2 -40.16 74.75 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.583 1.177 . . . . 0.0 109.265 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 47.5 mt -74.21 -39.62 49.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 O-C-N 124.686 1.241 . . . . 0.0 109.247 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.534 ' O ' ' HE1' ' A' ' 20' ' ' MET . . . -61.12 -42.63 98.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.563 1.165 . . . . 0.0 109.3 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.817 ' HD1' ' O ' ' A' ' 17' ' ' THR . 87.5 t80 -67.32 -41.52 85.16 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.425 1.078 . . . . 0.0 111.16 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 53.2 m -60.13 -41.75 93.34 Favored 'General case' 0 N--CA 1.45 -0.43 0 O-C-N 124.353 1.033 . . . . 0.0 110.543 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 83.7 mtp -69.73 -39.31 76.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 110.908 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 1.616 ' CE1' HD23 ' A' ' 13' ' ' LEU . 77.2 t80 -65.75 -31.48 72.49 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.593 1.183 . . . . 0.0 111.055 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -81.82 -33.61 30.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 34.0 t -72.89 -11.83 60.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.963 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 50.1 ttm -106.23 -45.82 4.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.667 1.229 . . . . 0.0 111.071 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.795 HD11 ' CE2' ' A' ' 10' ' ' TRP . 22.1 tp -57.55 -60.77 3.16 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.428 1.08 . . . . 0.0 109.283 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.428 HD22 ' HA ' ' A' ' 62' ' ' LEU . 0.1 OUTLIER -74.71 -46.91 34.48 Favored 'General case' 0 C--N 1.322 -0.625 0 O-C-N 124.59 1.181 . . . . 0.0 109.371 -179.894 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 100.41 89.11 2.02 Favored Glycine 0 CA--C 1.531 1.079 0 O-C-N 124.438 1.086 . . . . 0.0 110.969 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -140.89 17.39 2.31 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.599 0.823 . . . . 0.0 111.096 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 177.71 -48.69 0.1 OUTLIER Glycine 0 CA--C 1.533 1.173 0 O-C-N 124.493 1.12 . . . . 0.0 111.071 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.9 mm? . . . . . 0 C--N 1.323 -0.58 0 O-C-N 124.628 0.84 . . . . 0.0 109.252 179.974 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo . . . . . 0 N--CA 1.453 -0.877 0 N-CA-C 111.039 -0.408 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -71.36 -43.18 67.4 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.44 1.087 . . . . 0.0 110.317 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . 1.537 ' CE2' HD11 ' A' ' 61' ' ' LEU . 79.4 t90 -70.04 -31.56 69.26 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 8.3 mm -70.24 -38.2 73.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 109.314 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 64.3 t90 -68.41 -35.86 78.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 108.06 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 1.535 HD23 ' CE1' ' A' ' 57' ' ' TYR . 1.2 tt -67.16 -46.45 73.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.647 ' HA ' ' CE2' ' A' ' 57' ' ' TYR . . . -61.86 -39.01 90.42 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.454 1.096 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.7 tt -65.41 -40.33 93.24 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.407 1.067 . . . . 0.0 109.294 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.6 -41.83 97.64 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.529 1.143 . . . . 0.0 110.943 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.931 HG23 ' HB3' ' A' ' 57' ' ' TYR . 33.0 m -67.34 -36.82 82.21 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.466 0.745 . . . . 0.0 110.41 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.38 -37.64 77.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 59.8 tp -65.61 -46.46 79.23 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.486 1.116 . . . . 0.0 109.275 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.534 ' HE1' ' O ' ' A' ' 53' ' ' ALA . 78.0 mtp -62.57 -43.38 98.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 111.013 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.21 -43.4 99.16 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.519 1.137 . . . . 0.0 111.012 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.5 tt -63.39 -42.51 98.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 0.769 . . . . 0.0 109.309 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.93 -43.93 97.63 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.581 1.176 . . . . 0.0 111.039 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 1.44 ' OG1' ' CB ' ' A' ' 50' ' ' PRO . 33.9 m -64.46 -38.06 89.7 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.614 0.832 . . . . 0.0 110.393 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.1 tt -63.22 -45.11 93.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.564 1.165 . . . . 0.0 109.369 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -64.27 -38.57 91.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 111.04 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.628 ' CZ ' ' C ' ' A' ' 46' ' ' THR . 88.3 t80 -64.6 -36.78 85.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 110.985 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 20.6 mt -68.98 -40.31 78.89 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.473 1.108 . . . . 0.0 109.344 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 24.3 t -63.34 -38.86 83.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 45.2 mttm -70.13 -37.81 75.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -61.95 -46.41 94.15 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.423 1.077 . . . . 0.0 110.998 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 70.8 mtm . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.488 0.757 . . . . 0.0 111.007 179.932 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 44.4 mt -62.45 -43.06 97.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.411 1.069 . . . . 0.0 109.233 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.628 ' C ' ' CZ ' ' A' ' 27' ' ' PHE . 50.4 m -65.88 -24.7 66.92 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 0.0 110.469 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 96.2 m -87.93 -16.74 33.0 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.51 1.131 . . . . 0.0 110.473 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 5.2 mp -102.92 5.29 38.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.67 1.231 . . . . 0.0 109.336 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.559 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 1.1 t -61.25 -49.44 88.08 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.326 1.017 . . . . 0.0 109.375 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 1.44 ' CB ' ' OG1' ' A' ' 24' ' ' THR . 18.6 Cg_endo -74.8 -23.35 14.34 Favored 'Trans proline' 0 C--N 1.358 1.048 0 O-C-N 124.575 1.829 . . . . 0.0 111.157 179.757 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.927 ' HB2' HG21 ' A' ' 24' ' ' THR . . . -70.61 -41.52 72.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 6.2 mm -73.49 -40.62 55.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.562 1.163 . . . . 0.0 109.248 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.534 ' O ' ' HE1' ' A' ' 20' ' ' MET . . . -60.13 -41.94 93.72 Favored 'General case' 0 C--N 1.327 -0.384 0 O-C-N 124.575 1.172 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.691 ' HD1' ' O ' ' A' ' 17' ' ' THR . 76.5 t80 -68.06 -40.15 82.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.444 1.09 . . . . 0.0 110.95 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 53.7 m -61.65 -42.42 98.88 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.509 1.131 . . . . 0.0 110.43 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -67.34 -44.35 79.3 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.553 1.158 . . . . 0.0 111.057 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 1.535 ' CE1' HD23 ' A' ' 13' ' ' LEU . 86.1 t80 -66.33 -29.64 69.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.589 1.18 . . . . 0.0 111.068 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 13.2 tp -78.3 -33.65 49.26 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 124.432 1.082 . . . . 0.0 109.195 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 46.9 t -70.03 -15.3 62.99 Favored 'General case' 0 C--N 1.328 -0.357 0 O-C-N 124.488 1.117 . . . . 0.0 109.992 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 1.462 ' CE ' ' CD1' ' A' ' 13' ' ' LEU . 57.7 ttp -101.94 -55.37 2.51 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.453 1.096 . . . . 0.0 110.998 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 1.537 HD11 ' CE2' ' A' ' 10' ' ' TRP . 0.2 OUTLIER -56.89 -61.7 2.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.088 . . . . 0.0 109.437 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.02 -40.38 87.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.114 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 85.49 86.79 0.97 Allowed Glycine 0 CA--C 1.532 1.101 0 O-C-N 124.694 1.247 . . . . 0.0 110.903 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -129.52 6.78 5.25 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.563 0.802 . . . . 0.0 111.074 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 177.1 -50.46 0.1 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.354 1.034 . . . . 0.0 110.966 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 5.2 mp . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.502 0.766 . . . . 0.0 109.322 -179.958 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo . . . . . 0 N--CA 1.453 -0.865 0 N-CA-C 111.099 -0.385 . . . . 0.0 111.099 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -70.2 -36.36 74.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.355 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . 0.471 ' O ' HD11 ' A' ' 61' ' ' LEU . 68.6 t90 -72.06 -33.64 68.1 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.526 1.141 . . . . 0.0 108.038 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 8.4 mm -70.47 -38.07 72.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 73.7 t-105 -69.43 -36.58 76.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.605 1.19 . . . . 0.0 107.991 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 1.648 ' CD2' ' HB2' ' A' ' 61' ' ' LEU . 3.6 tt -66.57 -43.63 84.44 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.525 1.14 . . . . 0.0 109.328 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.54 ' HA ' HD22 ' A' ' 61' ' ' LEU . . . -64.56 -38.54 91.38 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.575 1.172 . . . . 0.0 109.248 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.8 tt -65.22 -40.41 94.08 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.548 1.155 . . . . 0.0 109.362 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.04 -42.24 96.8 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.49 1.119 . . . . 0.0 111.006 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.931 HG23 ' HB3' ' A' ' 57' ' ' TYR . 44.1 m -66.41 -36.97 84.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 0.78 . . . . 0.0 110.436 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.67 -37.42 76.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 109.302 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.5 tt -65.59 -45.64 82.46 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.458 1.099 . . . . 0.0 109.33 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.763 ' O ' ' HB2' ' A' ' 50' ' ' PRO . 78.5 mtp -63.99 -42.13 97.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 110.921 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -64.27 -39.5 97.09 Favored Glycine 0 CA--C 1.529 0.91 0 O-C-N 124.523 1.139 . . . . 0.0 111.049 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 31.6 tp -66.74 -41.1 88.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.459 0.74 . . . . 0.0 109.347 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.28 -43.97 97.66 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.545 1.153 . . . . 0.0 111.03 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 1.264 ' CA ' ' HG2' ' A' ' 50' ' ' PRO . 58.4 m -65.84 -38.31 88.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.444 0.732 . . . . 0.0 110.36 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 59.6 tp -63.91 -48.34 77.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.592 1.183 . . . . 0.0 109.272 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 35.7 t80 -62.0 -34.92 77.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 111.062 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.598 ' CZ ' ' C ' ' A' ' 46' ' ' THR . 89.1 t80 -67.35 -35.41 79.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.441 1.088 . . . . 0.0 110.99 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 21.0 mt -74.36 -33.08 62.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 109.295 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 11.0 t -61.58 -53.67 45.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.609 1.193 . . . . 0.0 109.296 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.5 ptpp? -71.75 -24.23 61.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.331 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -65.04 -43.83 95.23 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.405 1.065 . . . . 0.0 110.955 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 72.1 mtm . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.453 0.737 . . . . 0.0 111.049 -179.991 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.4 mp -61.62 -41.36 89.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.421 1.075 . . . . 0.0 109.409 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.598 ' C ' ' CZ ' ' A' ' 27' ' ' PHE . 60.7 m -64.41 -28.2 69.52 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.616 1.198 . . . . 0.0 110.414 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.511 ' O ' ' CD2' ' A' ' 27' ' ' PHE . 93.9 m -87.41 -16.97 33.37 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.448 1.093 . . . . 0.0 110.468 179.82 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 21.2 mt -104.5 13.12 32.36 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.3 1.0 . . . . 0.0 109.202 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.56 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 1.0 OUTLIER -60.35 -49.07 92.09 Favored Pre-proline 0 N--CA 1.451 -0.405 0 O-C-N 124.339 1.024 . . . . 0.0 109.249 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 1.264 ' HG2' ' CA ' ' A' ' 24' ' ' THR . 17.8 Cg_endo -75.19 -24.09 12.86 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.415 1.745 . . . . 0.0 110.817 -179.757 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 1.109 ' CB ' HG21 ' A' ' 24' ' ' THR . . . -70.72 -40.11 73.01 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.348 1.03 . . . . 0.0 109.405 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 45.9 mt -73.41 -40.26 56.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.438 1.086 . . . . 0.0 109.342 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.597 ' O ' ' HE1' ' A' ' 20' ' ' MET . . . -61.61 -40.95 96.67 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.637 1.211 . . . . 0.0 109.392 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.647 ' HD1' ' O ' ' A' ' 17' ' ' THR . 82.3 t80 -68.42 -38.5 81.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 111.061 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 41.7 m -60.81 -43.49 98.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 110.252 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 62.2 mtm -68.87 -41.94 77.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.415 1.072 . . . . 0.0 110.873 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 1.051 ' CE1' ' HG ' ' A' ' 13' ' ' LEU . 85.6 t80 -66.02 -29.5 69.88 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 124.426 1.079 . . . . 0.0 111.078 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 9.8 tp -82.85 -31.36 28.07 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.673 1.233 . . . . 0.0 109.347 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 40.6 t -73.45 -13.14 61.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.564 1.165 . . . . 0.0 109.959 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 36.6 ttm -107.52 -56.25 2.24 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.59 1.181 . . . . 0.0 110.901 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 1.648 ' HB2' ' CD2' ' A' ' 13' ' ' LEU . 6.9 tp -55.78 -61.53 2.3 Favored 'General case' 0 C--N 1.321 -0.643 0 O-C-N 124.288 0.993 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.17 -35.64 74.14 Favored 'General case' 0 C--N 1.323 -0.585 0 O-C-N 124.63 1.206 . . . . 0.0 109.331 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 82.36 95.21 0.52 Allowed Glycine 0 CA--C 1.528 0.892 0 O-C-N 124.52 1.137 . . . . 0.0 111.012 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -149.7 23.43 0.89 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.436 0.727 . . . . 0.0 110.836 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 174.84 -51.18 0.13 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.31 1.006 . . . . 0.0 110.974 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 11.3 mt . . . . . 0 C--N 1.322 -0.602 0 O-C-N 124.603 0.825 . . . . 0.0 109.244 -179.988 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo . . . . . 0 N--CA 1.453 -0.856 0 N-CA-C 110.943 -0.445 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -71.54 -33.25 68.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.437 1.086 . . . . 0.0 110.278 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . 0.87 ' O ' HD11 ' A' ' 61' ' ' LEU . 69.8 t90 -71.89 -35.46 69.74 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.572 1.17 . . . . 0.0 107.983 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 7.1 mm -70.49 -38.23 72.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.57 1.169 . . . . 0.0 109.295 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 73.5 t-105 -68.28 -36.91 80.11 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 1.049 ' CB ' HD13 ' A' ' 61' ' ' LEU . 3.7 tt -66.63 -43.97 83.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 1.079 ' HB2' HD21 ' A' ' 61' ' ' LEU . . . -63.99 -38.19 90.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.095 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.748 ' N ' ' OH ' ' A' ' 57' ' ' TYR . 3.8 tt -65.68 -40.29 92.2 Favored 'General case' 0 C--N 1.327 -0.373 0 O-C-N 124.547 1.155 . . . . 0.0 109.322 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.85 -40.57 95.59 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.484 1.115 . . . . 0.0 111.015 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 1.036 ' N ' ' CZ ' ' A' ' 57' ' ' TYR . 43.6 m -68.01 -35.13 77.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 0.787 . . . . 0.0 110.374 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.29 -35.12 66.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.411 1.069 . . . . 0.0 109.268 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 58.2 tp -66.25 -53.13 40.58 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.743 ' SD ' ' HB1' ' A' ' 53' ' ' ALA . 67.3 mtm -64.11 -37.95 89.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 110.96 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.409 ' HA3' ' CD1' ' A' ' 54' ' ' PHE . . . -63.83 -41.57 98.77 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.484 1.115 . . . . 0.0 110.97 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 63.4 tp -67.84 -39.36 83.86 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.495 0.762 . . . . 0.0 109.254 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -62.92 -42.93 99.58 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.543 1.152 . . . . 0.0 110.976 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.798 HG23 ' HG2' ' A' ' 50' ' ' PRO . 56.1 m -67.83 -38.88 83.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 0.749 . . . . 0.0 110.412 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 16.0 tp -63.38 -45.62 90.27 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.556 1.16 . . . . 0.0 109.27 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 65.3 t80 -64.1 -37.82 88.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 111.029 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.426 ' CZ ' ' N ' ' A' ' 47' ' ' THR . 92.8 t80 -65.01 -38.34 90.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.985 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.759 HD23 HG21 ' A' ' 47' ' ' THR . 21.1 mt -67.98 -43.98 77.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.438 1.087 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 38.0 t -64.21 -35.32 73.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.268 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.5 ttmm -66.89 -41.86 86.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.29 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -64.76 -42.17 97.25 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.379 1.049 . . . . 0.0 110.998 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.476 0.75 . . . . 0.0 111.03 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.35 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 50.2 mt -63.26 -37.51 79.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.394 1.059 . . . . 0.0 109.331 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.411 ' C ' ' CZ ' ' A' ' 27' ' ' PHE . 97.7 m -70.27 -21.53 62.96 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.621 1.2 . . . . 0.0 110.448 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.759 HG21 HD23 ' A' ' 28' ' ' LEU . 87.6 m -91.48 -16.82 26.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.632 1.207 . . . . 0.0 110.453 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.496 HD13 ' CB ' ' A' ' 51' ' ' ALA . 3.6 mm? -101.96 -4.14 26.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.623 1.202 . . . . 0.0 109.453 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.551 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 0.9 OUTLIER -64.7 -49.52 69.35 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.616 1.198 . . . . 0.0 109.316 -179.925 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.798 ' HG2' HG23 ' A' ' 24' ' ' THR . 18.1 Cg_endo -75.11 -18.17 18.71 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.552 1.817 . . . . 0.0 110.964 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.642 ' CA ' HG21 ' A' ' 24' ' ' THR . . . -72.97 -46.39 52.57 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 124.546 1.153 . . . . 0.0 109.248 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.5 mp -72.12 -36.84 57.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.384 1.052 . . . . 0.0 109.246 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.743 ' HB1' ' SD ' ' A' ' 20' ' ' MET . . . -62.12 -44.53 96.44 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.397 1.06 . . . . 0.0 109.286 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.821 ' HD1' ' O ' ' A' ' 17' ' ' THR . 88.7 t80 -66.73 -39.48 87.98 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.441 1.088 . . . . 0.0 110.992 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 73.9 m -62.34 -41.49 98.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.417 1.073 . . . . 0.0 110.509 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -69.85 -38.73 76.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.595 1.184 . . . . 0.0 111.045 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 1.055 ' OH ' ' C ' ' A' ' 14' ' ' ALA . 86.1 t80 -64.87 -32.0 73.5 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.009 -0.996 . . . . 0.0 110.923 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -82.9 -31.41 27.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.39 1.056 . . . . 0.0 109.439 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 39.3 t -75.72 -7.98 55.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.415 1.072 . . . . 0.0 109.946 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 26.2 ttt -110.94 -51.25 2.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.57 1.168 . . . . 0.0 111.063 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 1.079 HD21 ' HB2' ' A' ' 14' ' ' ALA . 55.8 tp -54.58 -65.25 0.61 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.404 1.065 . . . . 0.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.9 tp -73.89 -31.96 63.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.555 1.16 . . . . 0.0 109.337 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 80.6 88.57 0.56 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.513 1.133 . . . . 0.0 111.071 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -136.7 16.97 3.09 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.385 0.697 . . . . 0.0 111.029 -179.797 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -177.67 -55.15 0.07 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.476 1.11 . . . . 0.0 111.127 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.628 0.84 . . . . 0.0 109.366 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_endo . . . . . 0 N--CA 1.452 -0.914 0 N-CA-C 111.005 -0.421 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -69.5 -34.32 74.14 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.495 1.122 . . . . 0.0 110.225 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 72.7 t90 -73.69 -32.86 64.15 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 8.5 mm -71.29 -37.73 66.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.277 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 76.1 t-105 -69.96 -36.89 75.61 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.495 1.122 . . . . 0.0 108.029 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 1.552 HD22 ' CD2' ' A' ' 61' ' ' LEU . 3.7 tt -66.38 -43.51 85.71 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.506 1.129 . . . . 0.0 109.347 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.62 -38.68 91.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.428 1.08 . . . . 0.0 109.28 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.9 tt -65.1 -40.62 94.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.439 1.087 . . . . 0.0 109.246 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.01 -42.47 96.74 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.391 1.057 . . . . 0.0 111.009 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.944 HG23 ' HB3' ' A' ' 57' ' ' TYR . 41.3 m -66.22 -37.0 84.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.434 0.726 . . . . 0.0 110.372 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.84 -37.49 76.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.158 . . . . 0.0 109.278 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.5 tt -65.52 -45.58 82.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.198 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.669 ' O ' ' HB2' ' A' ' 50' ' ' PRO . 78.6 mtp -64.28 -42.15 96.56 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.478 1.111 . . . . 0.0 111.015 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -63.9 -39.6 97.5 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.463 1.102 . . . . 0.0 110.949 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 60.5 tp -67.6 -39.96 84.76 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.457 0.74 . . . . 0.0 109.299 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.64 -42.93 98.58 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.481 1.113 . . . . 0.0 111.006 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 1.176 ' CA ' ' HG2' ' A' ' 50' ' ' PRO . 45.1 m -67.27 -39.86 86.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 0.773 . . . . 0.0 110.416 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 59.0 tp -63.01 -45.82 90.57 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.416 1.072 . . . . 0.0 109.345 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 69.1 t80 -63.59 -37.13 86.16 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.456 1.097 . . . . 0.0 111.032 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.496 ' CZ ' ' C ' ' A' ' 46' ' ' THR . 88.2 t80 -66.77 -33.92 76.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.576 1.173 . . . . 0.0 111.028 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 22.2 mt -73.96 -42.32 60.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.565 1.165 . . . . 0.0 109.307 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 23.8 t -62.17 -44.68 99.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.516 1.135 . . . . 0.0 109.273 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.9 mmmm -73.06 -28.1 62.12 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -62.83 -62.08 5.85 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.508 1.13 . . . . 0.0 110.966 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 18.2 ptp . . . . . 0 C--N 1.326 -0.438 0 O-C-N 124.462 0.742 . . . . 0.0 111.103 179.978 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 47.7 mt -62.6 -41.91 93.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 O-C-N 124.482 1.114 . . . . 0.0 109.24 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.496 ' C ' ' CZ ' ' A' ' 27' ' ' PHE . 96.7 m -65.44 -26.78 68.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.587 1.18 . . . . 0.0 110.421 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 93.8 m -87.8 -16.45 34.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.534 1.146 . . . . 0.0 110.486 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 24.8 mt -104.46 10.39 35.24 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.664 1.227 . . . . 0.0 109.285 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.562 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 1.0 OUTLIER -60.93 -49.24 89.99 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.565 1.166 . . . . 0.0 109.18 -179.936 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 1.176 ' HG2' ' CA ' ' A' ' 24' ' ' THR . 18.3 Cg_endo -74.95 -23.75 13.6 Favored 'Trans proline' 0 C--N 1.358 1.049 0 O-C-N 124.541 1.811 . . . . 0.0 110.99 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 1.045 ' CB ' HG21 ' A' ' 24' ' ' THR . . . -70.64 -40.82 72.86 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 6.1 mm -73.81 -38.7 51.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.084 . . . . 0.0 109.333 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.475 ' O ' ' HE1' ' A' ' 20' ' ' MET . . . -62.17 -41.9 98.75 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.575 1.172 . . . . 0.0 109.133 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.784 ' HD1' ' O ' ' A' ' 17' ' ' THR . 86.7 t80 -68.37 -39.55 81.73 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.438 1.086 . . . . 0.0 111.092 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 54.2 m -62.28 -43.02 99.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.415 1.072 . . . . 0.0 110.32 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 81.7 mtp -68.04 -43.58 78.39 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.488 1.118 . . . . 0.0 110.842 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.972 ' CE1' ' HG ' ' A' ' 13' ' ' LEU . 78.1 t80 -62.65 -36.46 82.91 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.672 1.233 . . . . 0.0 111.039 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 8.1 tp -74.92 -34.76 62.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.585 1.178 . . . . 0.0 109.329 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 47.3 t -74.36 -6.86 50.55 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 0.0 110.016 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 49.3 ttm -107.25 -41.53 5.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.584 1.177 . . . . 0.0 111.04 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 1.552 ' CD2' HD22 ' A' ' 13' ' ' LEU . 0.2 OUTLIER -61.12 -64.45 0.95 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.605 1.19 . . . . 0.0 109.366 -179.929 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 9.8 mt -74.27 -34.9 63.71 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.385 1.053 . . . . 0.0 109.19 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 88.08 95.0 0.98 Allowed Glycine 0 CA--C 1.533 1.167 0 O-C-N 124.296 0.997 . . . . 0.0 110.986 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -144.01 19.66 1.78 Allowed 'General case' 0 C--N 1.322 -0.599 0 O-C-N 124.527 0.781 . . . . 0.0 111.061 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 172.78 -49.55 0.17 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.54 1.15 . . . . 0.0 110.995 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.8 mm? . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.539 0.788 . . . . 0.0 109.283 -179.978 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo . . . . . 0 N--CA 1.452 -0.949 0 N-CA-C 111.018 -0.416 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -71.27 -34.54 70.8 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.52 1.137 . . . . 0.0 110.34 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . 1.434 ' CD1' ' CD1' ' A' ' 61' ' ' LEU . 71.2 t90 -71.16 -35.41 71.64 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 107.967 -1.124 . . . . 0.0 107.967 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 7.4 mm -70.98 -37.8 69.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 62.9 t90 -68.15 -37.83 81.48 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.918 -1.142 . . . . 0.0 107.918 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 1.644 ' CB ' HD23 ' A' ' 61' ' ' LEU . 3.5 tt -66.85 -43.3 84.0 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.58 -38.61 91.78 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.5 tp -65.34 -41.4 93.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.574 1.171 . . . . 0.0 109.383 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.03 -40.44 97.08 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.534 1.146 . . . . 0.0 111.031 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 1.497 ' OG1' ' CD1' ' A' ' 57' ' ' TYR . 44.2 m -68.2 -35.54 78.15 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.423 0.72 . . . . 0.0 110.297 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.68 -34.08 66.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.268 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 57.9 tp -67.25 -52.38 41.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 109.301 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.958 ' SD ' ' HB1' ' A' ' 53' ' ' ALA . 65.5 mtm -65.32 -33.9 77.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 111.061 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.571 ' HA3' ' CD1' ' A' ' 54' ' ' PHE . . . -67.75 -41.85 88.15 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.594 1.184 . . . . 0.0 111.048 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 62.7 tp -68.3 -40.87 81.59 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.564 0.802 . . . . 0.0 109.282 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.56 -39.24 97.41 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.462 1.101 . . . . 0.0 111.001 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 1.373 ' OG1' ' CB ' ' A' ' 50' ' ' PRO . 92.7 m -69.82 -39.98 76.18 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.453 0.737 . . . . 0.0 110.43 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.7 tt -64.12 -43.46 95.22 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 124.429 1.08 . . . . 0.0 109.352 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 81.4 t80 -65.22 -37.23 86.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 111.03 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 1.045 ' HD2' HG23 ' A' ' 47' ' ' THR . 92.1 t80 -66.3 -36.38 82.81 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.363 1.04 . . . . 0.0 111.075 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.888 HD23 HG21 ' A' ' 47' ' ' THR . 21.8 mt -70.57 -44.16 67.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.541 1.15 . . . . 0.0 109.3 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 33.6 t -64.25 -36.82 78.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 0.0 109.36 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -71.33 -35.12 71.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -67.69 -38.38 89.87 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.496 1.123 . . . . 0.0 111.135 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.499 0.764 . . . . 0.0 111.008 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.239 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 44.9 mt -63.91 -39.21 84.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 O-C-N 124.612 1.195 . . . . 0.0 109.25 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.482 ' C ' ' CZ ' ' A' ' 27' ' ' PHE . 48.9 m -70.35 -18.82 63.08 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.661 1.226 . . . . 0.0 110.459 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 1.045 HG23 ' HD2' ' A' ' 27' ' ' PHE . 97.6 m -93.67 -17.3 23.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 110.334 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.526 HD13 ' HB3' ' A' ' 51' ' ' ALA . 3.5 mm? -101.86 -6.94 22.94 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.144 . . . . 0.0 109.33 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.548 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 0.9 OUTLIER -63.47 -49.49 77.98 Favored Pre-proline 0 N--CA 1.452 -0.362 0 O-C-N 124.513 1.133 . . . . 0.0 109.413 -179.932 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 1.373 ' CB ' ' OG1' ' A' ' 24' ' ' THR . 18.6 Cg_endo -74.99 -21.06 16.28 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.327 1.698 . . . . 0.0 111.064 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.773 ' CA ' HG21 ' A' ' 24' ' ' THR . . . -73.07 -41.5 64.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.601 1.188 . . . . 0.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 49.9 mt -72.31 -37.28 57.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 O-C-N 124.41 1.069 . . . . 0.0 109.37 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.958 ' HB1' ' SD ' ' A' ' 20' ' ' MET . . . -64.05 -42.7 96.93 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.417 1.073 . . . . 0.0 109.348 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.98 ' CD1' ' O ' ' A' ' 17' ' ' THR . 50.6 t80 -66.51 -37.81 85.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.133 . . . . 0.0 111.103 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 94.6 m -67.23 -42.42 84.05 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.56 1.162 . . . . 0.0 110.377 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 79.0 mtp -67.2 -37.42 83.61 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.547 1.154 . . . . 0.0 111.088 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 1.497 ' CD1' ' OG1' ' A' ' 17' ' ' THR . 27.4 t80 -61.1 -39.07 88.57 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.549 1.156 . . . . 0.0 111.027 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 1.041 ' HG ' HG21 ' A' ' 17' ' ' THR . 20.5 mt -77.48 -30.61 53.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.611 1.194 . . . . 0.0 109.208 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 22.7 t -75.13 -6.8 51.5 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.442 1.089 . . . . 0.0 109.929 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 1.298 ' CE ' ' CD1' ' A' ' 13' ' ' LEU . 49.6 ttp -110.03 -50.76 2.94 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.499 1.124 . . . . 0.0 110.963 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 1.644 HD23 ' CB ' ' A' ' 13' ' ' LEU . 0.2 OUTLIER -57.4 -61.96 2.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.306 1.004 . . . . 0.0 109.29 -179.89 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.5 mt -74.26 -33.44 63.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.356 1.035 . . . . 0.0 109.226 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 79.76 91.86 0.42 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.363 1.04 . . . . 0.0 111.032 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -143.06 18.99 1.94 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 0.752 . . . . 0.0 111.015 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 176.57 -53.03 0.11 Allowed Glycine 0 CA--C 1.532 1.141 0 CA-C-N 114.868 -1.06 . . . . 0.0 110.938 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.323 -0.572 0 O-C-N 124.623 0.837 . . . . 0.0 109.28 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 56.4 mm-40 -74.6 -54.32 7.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 110.367 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 32.0 mm -98.19 76.6 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.447 1.092 . . . . 0.0 109.257 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 12.7 t -77.02 -19.31 57.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.6 1.188 . . . . 0.0 110.4 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -55.39 -52.1 49.99 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.513 1.133 . . . . 0.0 111.044 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -98.13 122.36 54.47 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.535 0.785 . . . . 0.0 110.273 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -71.74 -18.93 28.18 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.525 1.802 . . . . 0.0 111.132 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -69.04 -38.01 78.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.57 1.169 . . . . 0.0 110.358 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.931 ' CE2' HD11 ' A' ' 61' ' ' LEU . 69.0 t90 -69.04 -35.25 76.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.58 1.175 . . . . 0.0 108.026 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 8.2 mm -69.4 -36.87 73.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.579 1.174 . . . . 0.0 109.257 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 75.5 t-105 -68.25 -35.27 77.65 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.547 1.155 . . . . 0.0 107.99 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 1.565 HD23 ' CD1' ' A' ' 57' ' ' TYR . 1.3 tt -67.53 -47.19 70.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.269 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.98 -38.11 87.35 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 0.0 109.187 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.8 tt -65.59 -41.08 93.23 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.506 1.129 . . . . 0.0 109.345 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.51 -40.8 97.96 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.529 1.143 . . . . 0.0 111.008 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.785 HG23 ' HB3' ' A' ' 57' ' ' TYR . 32.2 m -67.95 -37.08 81.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 0.763 . . . . 0.0 110.42 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.17 -35.82 74.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.442 1.089 . . . . 0.0 109.349 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.5 tt -66.7 -46.43 75.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.616 1.197 . . . . 0.0 109.317 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.896 ' O ' ' HB2' ' A' ' 50' ' ' PRO . 62.8 mmm -64.81 -39.57 93.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 111.036 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -66.76 -38.98 93.49 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.437 1.086 . . . . 0.0 110.96 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 64.5 tp -66.16 -46.25 78.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 0.775 . . . . 0.0 109.307 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -62.4 -39.12 97.37 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.525 1.14 . . . . 0.0 110.981 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 1.315 ' CA ' ' HG2' ' A' ' 50' ' ' PRO . 87.3 m -67.93 -34.9 77.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.435 0.727 . . . . 0.0 110.359 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.5 tt -62.61 -49.51 74.93 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -62.59 -37.18 85.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.575 1.172 . . . . 0.0 110.987 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 1.145 ' CD2' ' O ' ' A' ' 47' ' ' THR . 85.7 t80 -65.34 -35.06 79.82 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.136 . . . . 0.0 111.015 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.541 HD21 ' CD1' ' A' ' 48' ' ' LEU . 25.7 mt -72.76 -40.18 66.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.38 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 28.7 t -64.56 -41.6 92.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 53.8 mttp -72.75 -30.57 64.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -66.71 -45.46 84.14 Favored Glycine 0 CA--C 1.528 0.902 0 O-C-N 124.427 1.08 . . . . 0.0 110.962 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 72.1 mtm -76.98 -29.5 55.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 0.765 . . . . 0.0 111.001 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.459 ' O ' ' C ' ' A' ' 34' ' ' VAL . . . -71.51 -39.42 61.08 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.518 1.136 . . . . 0.0 110.979 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.472 HG22 ' O ' ' A' ' 34' ' ' VAL . 7.1 p . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.426 0.721 . . . . 0.0 109.342 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.887 0 N-CA-C 111.013 -0.418 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -83.01 -15.19 52.14 Favored 'General case' 0 N--CA 1.451 -0.418 0 O-C-N 124.515 1.135 . . . . 0.0 109.257 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.75 -27.82 67.91 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.56 1.163 . . . . 0.0 109.319 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 48.5 mtmt -69.22 -41.48 76.99 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.608 1.192 . . . . 0.0 109.227 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 5.3 mtmp? -68.57 -44.06 75.23 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.434 1.084 . . . . 0.0 109.235 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 83.6 t80 -59.97 -41.77 92.69 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 124.451 1.095 . . . . 0.0 111.085 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 83.0 t80 -68.56 -40.15 80.73 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.599 1.187 . . . . 0.0 110.945 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.67 -44.94 96.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.336 1.022 . . . . 0.0 109.288 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 6.7 mm -64.47 -42.36 95.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.5 1.125 . . . . 0.0 109.245 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 1.057 ' C ' ' CZ ' ' A' ' 27' ' ' PHE . 64.0 m -60.81 -29.94 69.77 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.442 1.089 . . . . 0.0 110.447 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 1.145 ' O ' ' CD2' ' A' ' 27' ' ' PHE . 59.1 m -85.95 -21.8 27.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.474 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.541 ' CD1' HD21 ' A' ' 28' ' ' LEU . 6.5 mp -102.61 19.07 19.78 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.643 1.214 . . . . 0.0 109.207 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.56 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 1.0 OUTLIER -60.35 -49.18 91.63 Favored Pre-proline 0 C--N 1.324 -0.54 0 O-C-N 124.515 1.134 . . . . 0.0 109.259 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 1.315 ' HG2' ' CA ' ' A' ' 24' ' ' THR . 18.4 Cg_endo -74.94 -24.29 13.09 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.36 1.716 . . . . 0.0 111.007 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 1.059 ' CA ' HG21 ' A' ' 24' ' ' THR . . . -69.78 -42.1 74.23 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.461 1.101 . . . . 0.0 109.299 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 46.4 mt -72.98 -39.31 57.73 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.442 0 O-C-N 124.389 1.056 . . . . 0.0 109.362 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.64 -40.66 92.79 Favored 'General case' 0 N--CA 1.45 -0.451 0 O-C-N 124.431 1.082 . . . . 0.0 109.334 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.723 ' CD1' HG22 ' A' ' 17' ' ' THR . 83.9 t80 -67.8 -41.75 82.68 Favored 'General case' 0 N--CA 1.449 -0.516 0 O-C-N 124.64 1.212 . . . . 0.0 111.081 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 85.3 m -61.76 -39.8 92.9 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.452 1.095 . . . . 0.0 110.429 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 81.9 mtp -69.45 -39.19 77.93 Favored 'General case' 0 C--N 1.327 -0.378 0 O-C-N 124.547 1.155 . . . . 0.0 111.131 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 1.565 ' CD1' HD23 ' A' ' 13' ' ' LEU . 67.6 t80 -72.11 -28.33 63.21 Favored 'General case' 0 C--N 1.322 -0.602 0 O-C-N 124.541 1.15 . . . . 0.0 110.931 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 8.8 tp -78.15 -41.27 35.36 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.413 1.071 . . . . 0.0 109.373 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 92.9 p -60.72 -25.69 66.62 Favored 'General case' 0 N--CA 1.45 -0.468 0 O-C-N 124.396 1.06 . . . . 0.0 110.091 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 1.45 ' CE ' HD11 ' A' ' 13' ' ' LEU . 54.4 ttp -92.8 -43.74 8.86 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.56 1.162 . . . . 0.0 111.106 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.931 HD11 ' CE2' ' A' ' 10' ' ' TRP . 30.4 tp -58.29 -60.26 4.04 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.478 1.111 . . . . 0.0 109.47 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 10.3 mp -70.5 -34.1 71.97 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 73.78 43.66 34.42 Favored Glycine 0 CA--C 1.533 1.163 0 O-C-N 124.488 1.118 . . . . 0.0 110.94 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 6.1 p90 -109.49 -17.5 13.74 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.699 0.882 . . . . 0.0 110.867 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -127.12 5.11 7.32 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.524 1.14 . . . . 0.0 110.993 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -122.23 -59.51 1.64 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.539 0.787 . . . . 0.0 109.382 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 36.7 m -65.23 -40.73 94.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.67 1.231 . . . . 0.0 110.371 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 58.0 mtt -71.14 -51.91 22.31 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.595 1.184 . . . . 0.0 110.995 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 15.4 m -136.0 153.27 76.8 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.614 1.197 . . . . 0.0 109.247 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo . . . . . 0 C--N 1.361 1.221 0 O-C-N 124.434 1.755 . . . . 0.0 110.845 -179.853 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 1.135 ' CD ' ' O ' ' A' ' 62' ' ' LEU . 44.6 mt-30 -101.9 75.2 1.52 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.522 1.139 . . . . 0.0 110.246 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 14.6 mm -97.21 147.33 6.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.144 . . . . 0.0 109.313 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.3 t -101.3 37.14 1.84 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.558 1.161 . . . . 0.0 110.45 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -107.64 -72.47 0.78 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.587 1.18 . . . . 0.0 110.99 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 5.1 ptt-85 -48.58 143.28 7.86 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.447 0.734 . . . . 0.0 110.288 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -74.01 -16.51 22.85 Favored 'Trans proline' 0 C--N 1.361 1.22 0 O-C-N 124.479 1.779 . . . . 0.0 111.063 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.91 -37.03 81.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.399 1.062 . . . . 0.0 110.331 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.639 ' CG ' HD11 ' A' ' 61' ' ' LEU . 86.7 t90 -72.9 -32.87 65.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.616 1.198 . . . . 0.0 108.026 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 8.3 mm -70.58 -37.14 68.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.575 1.172 . . . . 0.0 109.365 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 53.9 t90 -70.2 -37.54 75.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.597 1.186 . . . . 0.0 108.067 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 1.228 HD23 ' CB ' ' A' ' 61' ' ' LEU . 10.4 tp -66.28 -43.82 85.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.088 . . . . 0.0 109.329 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.849 ' HB2' HD21 ' A' ' 61' ' ' LEU . . . -63.87 -40.08 95.7 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.573 1.17 . . . . 0.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 59.8 tp -64.31 -40.23 95.52 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.606 1.191 . . . . 0.0 109.309 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.76 -42.8 96.96 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.53 1.144 . . . . 0.0 111.008 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 1.056 HG21 ' HG ' ' A' ' 58' ' ' LEU . 37.1 m -66.61 -36.04 81.64 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.464 0.743 . . . . 0.0 110.421 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.06 -37.77 75.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.337 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.3 tt -65.57 -45.76 82.06 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.536 1.148 . . . . 0.0 109.322 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 1.506 ' CE ' ' CB ' ' A' ' 53' ' ' ALA . 79.3 mtp -64.31 -41.51 96.81 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 110.938 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.555 ' HA3' ' CD1' ' A' ' 54' ' ' PHE . . . -64.32 -39.91 97.4 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.441 1.088 . . . . 0.0 111.007 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 61.5 tp -67.66 -39.34 84.56 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.532 0.784 . . . . 0.0 109.371 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.84 -42.69 98.37 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.494 1.121 . . . . 0.0 110.983 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 1.214 ' OG1' ' CB ' ' A' ' 50' ' ' PRO . 43.7 m -67.66 -40.3 84.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 0.784 . . . . 0.0 110.45 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.7 tt -62.64 -45.5 92.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.363 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -63.88 -37.54 87.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 110.966 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 1.243 ' CD2' HG23 ' A' ' 47' ' ' THR . 88.6 t80 -66.51 -33.88 76.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.542 1.151 . . . . 0.0 111.053 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.822 HD23 HG21 ' A' ' 47' ' ' THR . 22.7 mt -74.65 -41.94 59.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.313 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 17.3 t -61.84 -45.04 99.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.113 . . . . 0.0 109.314 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.8 mmmm -71.94 -33.46 68.24 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.445 1.091 . . . . 0.0 109.337 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.37 -45.29 96.44 Favored Glycine 0 CA--C 1.532 1.146 0 O-C-N 124.42 1.075 . . . . 0.0 110.916 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 70.6 mtm -76.61 -32.67 58.22 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.553 0.796 . . . . 0.0 111.024 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.431 ' O ' ' C ' ' A' ' 34' ' ' VAL . . . 112.51 76.93 0.81 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.591 1.182 . . . . 0.0 111.027 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.489 HG22 ' O ' ' A' ' 34' ' ' VAL . 7.6 p . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.529 0.782 . . . . 0.0 109.291 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.884 0 N-CA-C 111.011 -0.419 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -178.59 -42.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.16 -38.81 89.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.303 1.002 . . . . 0.0 109.258 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 64.2 mttm -69.82 -42.05 74.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.389 1.056 . . . . 0.0 109.21 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 5.0 mtmp? -62.7 -44.26 96.7 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.621 1.2 . . . . 0.0 109.296 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 81.6 t80 -61.72 -45.88 92.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.434 1.084 . . . . 0.0 110.967 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 85.0 t80 -62.32 -38.33 89.0 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.604 1.19 . . . . 0.0 111.04 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.87 -46.7 89.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.624 1.202 . . . . 0.0 109.234 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.4 mp -63.76 -38.33 82.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 O-C-N 124.51 1.131 . . . . 0.0 109.266 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 37.8 m -69.58 -19.79 63.66 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.453 1.096 . . . . 0.0 110.556 179.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 1.243 HG23 ' CD2' ' A' ' 27' ' ' PHE . 96.0 m -93.74 -16.98 23.66 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.529 1.143 . . . . 0.0 110.432 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.517 HD13 ' HB3' ' A' ' 51' ' ' ALA . 3.5 mm? -101.46 -6.44 23.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.579 1.175 . . . . 0.0 109.348 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.541 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 0.9 OUTLIER -63.95 -49.87 72.72 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.428 1.08 . . . . 0.0 109.371 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 1.214 ' CB ' ' OG1' ' A' ' 24' ' ' THR . 18.3 Cg_endo -74.98 -22.14 15.16 Favored 'Trans proline' 0 C--N 1.361 1.224 0 O-C-N 124.577 1.83 . . . . 0.0 110.953 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.823 ' CA ' HG21 ' A' ' 24' ' ' THR . . . -71.18 -44.3 65.74 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.684 1.24 . . . . 0.0 109.266 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 6.1 mm -70.51 -37.9 71.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 109.345 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 1.506 ' CB ' ' CE ' ' A' ' 20' ' ' MET . . . -62.1 -41.09 97.87 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.242 0.964 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.917 ' CD1' ' O ' ' A' ' 17' ' ' THR . 48.2 t80 -66.31 -41.36 89.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.329 1.018 . . . . 0.0 110.943 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 57.3 m -65.26 -39.6 92.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.342 1.026 . . . . 0.0 110.234 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 76.1 mtp -69.6 -37.17 76.8 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.466 1.103 . . . . 0.0 110.951 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.873 ' CZ ' ' N ' ' A' ' 17' ' ' THR . 40.0 t80 -62.79 -33.9 76.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.432 1.083 . . . . 0.0 111.154 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 1.056 ' HG ' HG21 ' A' ' 17' ' ' THR . 18.3 mt -83.07 -30.64 27.84 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.444 1.09 . . . . 0.0 109.286 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 42.7 t -72.48 -10.81 60.25 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.568 1.167 . . . . 0.0 110.008 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 23.7 ttt -110.99 -50.15 2.97 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 0.0 110.996 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 1.228 ' CB ' HD23 ' A' ' 13' ' ' LEU . 44.5 tp -54.22 -62.92 1.34 Allowed 'General case' 0 C--N 1.327 -0.399 0 O-C-N 124.464 1.102 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 1.135 ' O ' ' CD ' ' A' ' 3' ' ' GLN . 9.0 mt -75.85 -31.66 59.42 Favored 'General case' 0 C--N 1.322 -0.61 0 O-C-N 124.679 1.237 . . . . 0.0 109.441 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 79.75 91.95 0.41 Allowed Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.546 1.154 . . . . 0.0 110.932 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -146.16 22.81 1.36 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.422 0.719 . . . . 0.0 110.984 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -176.0 -53.95 0.06 OUTLIER Glycine 0 CA--C 1.532 1.105 0 O-C-N 124.449 1.093 . . . . 0.0 111.101 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 10.2 mt -73.03 -22.94 60.56 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.761 0.918 . . . . 0.0 109.217 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 5.1 t -85.04 -20.25 30.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 110.453 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 26.2 mmt -79.51 -38.67 33.8 Favored 'General case' 0 N--CA 1.451 -0.399 0 O-C-N 124.431 1.082 . . . . 0.0 111.052 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 4.4 m -98.45 153.25 38.08 Favored Pre-proline 0 C--N 1.324 -0.534 0 O-C-N 124.491 1.119 . . . . 0.0 109.375 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.359 1.095 0 O-C-N 124.491 1.785 . . . . 0.0 110.99 -179.991 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.232 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 9.2 tp-100 -149.02 131.85 16.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.435 1.085 . . . . 0.0 110.288 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 39.4 mm -85.9 95.72 4.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.9 t -147.17 33.13 0.9 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.522 1.139 . . . . 0.0 110.371 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -174.45 178.85 46.12 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.407 1.067 . . . . 0.0 110.973 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 80.8 mtt85 -72.89 166.78 40.08 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.497 0.763 . . . . 0.0 110.255 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -56.02 -33.26 89.02 Favored 'Trans proline' 0 C--N 1.361 1.223 0 O-C-N 124.486 1.782 . . . . 0.0 110.985 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -71.59 -37.4 71.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.282 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.492 ' CD2' HD11 ' A' ' 61' ' ' LEU . 85.3 t90 -69.21 -34.92 75.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 107.992 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 7.7 mm -70.52 -38.6 74.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.088 . . . . 0.0 109.299 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 73.9 t-105 -68.2 -34.78 76.9 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 1.363 ' CD1' ' CE ' ' A' ' 60' ' ' MET . 12.1 tp -67.31 -45.87 75.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.27 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.867 ' HA ' HD22 ' A' ' 61' ' ' LEU . . . -63.51 -37.53 87.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.263 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.6 tt -65.89 -40.94 92.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.413 1.071 . . . . 0.0 109.374 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.17 -40.22 96.67 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.459 1.1 . . . . 0.0 110.94 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 1.045 ' N ' ' CZ ' ' A' ' 57' ' ' TYR . 41.3 m -68.02 -35.18 77.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 0.796 . . . . 0.0 110.399 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.27 -34.46 65.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.427 1.079 . . . . 0.0 109.341 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 11.9 tp -66.58 -53.12 37.97 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.453 1.095 . . . . 0.0 109.326 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.929 ' SD ' ' HB1' ' A' ' 53' ' ' ALA . 69.3 mtm -64.4 -36.99 85.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 111.003 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -64.41 -41.97 97.83 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.485 1.116 . . . . 0.0 111.047 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 63.2 tp -67.85 -38.99 83.84 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.47 0.747 . . . . 0.0 109.335 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -62.85 -44.53 97.31 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.485 1.116 . . . . 0.0 111.002 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 1.442 ' OG1' ' CB ' ' A' ' 50' ' ' PRO . 52.8 m -66.81 -39.33 87.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.4 0.706 . . . . 0.0 110.427 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.4 tt -62.24 -46.84 87.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.575 1.172 . . . . 0.0 109.32 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 69.2 t80 -64.0 -35.98 82.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.102 . . . . 0.0 110.95 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 1.283 ' HD2' ' CG2' ' A' ' 47' ' ' THR . 76.8 t80 -66.72 -32.0 73.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 110.971 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.885 HD23 HG21 ' A' ' 47' ' ' THR . 21.9 mt -79.13 -37.26 39.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 9.5 t -60.74 -49.14 85.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 109.255 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.8 pttp -78.64 -24.92 44.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.4 -42.0 95.5 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.538 1.149 . . . . 0.0 110.981 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 63.7 mtm -60.62 -41.99 95.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.563 0.802 . . . . 0.0 111.042 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.454 ' O ' ' C ' ' A' ' 34' ' ' VAL . . . 153.14 69.17 0.01 OUTLIER Glycine 0 CA--C 1.528 0.904 0 O-C-N 124.433 1.083 . . . . 0.0 110.978 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.482 HG22 ' O ' ' A' ' 34' ' ' VAL . 7.6 p . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.412 0.713 . . . . 0.0 109.298 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo . . . . . 0 N--CA 1.453 -0.894 0 N-CA-C 111.035 -0.41 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -68.83 -33.58 74.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.664 1.228 . . . . 0.0 109.404 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -71.55 -36.45 70.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.589 1.181 . . . . 0.0 109.25 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 59.1 mtpt -69.45 -38.74 77.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 109.323 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 57.0 mtpt -67.68 -43.69 79.57 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.494 1.121 . . . . 0.0 109.28 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -62.72 -42.06 99.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.399 1.062 . . . . 0.0 111.028 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 85.4 t80 -66.16 -40.61 90.68 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.518 1.136 . . . . 0.0 111.049 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.28 -45.78 91.74 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 109.172 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 6.0 mm -62.84 -38.45 81.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.647 ' HB ' ' HZ ' ' A' ' 27' ' ' PHE . 98.8 m -68.99 -26.11 64.86 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.388 1.055 . . . . 0.0 110.329 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 1.283 ' CG2' ' HD2' ' A' ' 27' ' ' PHE . 55.8 m -92.24 -7.92 46.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.142 . . . . 0.0 110.476 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.1 tp -102.59 -7.3 21.93 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.491 1.119 . . . . 0.0 109.253 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.551 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 1.3 t -64.89 -49.45 68.43 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.335 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 1.442 ' CB ' ' OG1' ' A' ' 24' ' ' THR . 18.3 Cg_endo -75.11 -17.81 19.01 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.44 1.758 . . . . 0.0 111.004 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.63 -43.48 69.14 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.642 1.214 . . . . 0.0 109.336 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.4 mp -74.4 -37.82 45.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 109.28 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.929 ' HB1' ' SD ' ' A' ' 20' ' ' MET . . . -61.31 -42.62 98.97 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.446 1.091 . . . . 0.0 109.284 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.523 ' HD1' ' O ' ' A' ' 17' ' ' THR . 83.5 t80 -68.22 -41.44 81.29 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.517 1.136 . . . . 0.0 111.029 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 59.3 m -59.78 -41.81 91.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 110.397 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 83.6 mtp -69.4 -41.31 76.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.564 1.165 . . . . 0.0 111.059 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 1.045 ' CZ ' ' N ' ' A' ' 17' ' ' THR . 76.3 t80 -63.65 -31.76 73.03 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.633 1.208 . . . . 0.0 111.122 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.544 ' CD2' HG21 ' A' ' 17' ' ' THR . 0.1 OUTLIER -81.65 -33.75 31.19 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.609 1.193 . . . . 0.0 109.211 -179.957 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 39.0 t -73.54 -8.26 55.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.346 1.029 . . . . 0.0 109.97 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 1.363 ' CE ' ' CD1' ' A' ' 13' ' ' LEU . 50.5 ttp -110.46 -43.72 3.83 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.532 1.145 . . . . 0.0 111.039 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 1.014 ' HA ' HD23 ' A' ' 13' ' ' LEU . 55.9 tp -56.99 -65.68 0.58 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.566 1.166 . . . . 0.0 109.422 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.8 tp -74.61 -39.09 62.38 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.385 1.053 . . . . 0.0 109.19 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 89.98 86.89 1.32 Allowed Glycine 0 CA--C 1.532 1.096 0 O-C-N 124.423 1.077 . . . . 0.0 111.022 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -113.17 -9.75 13.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.609 0.829 . . . . 0.0 110.984 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -177.8 -43.49 0.07 OUTLIER Glycine 0 CA--C 1.528 0.9 0 O-C-N 124.504 1.127 . . . . 0.0 111.088 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.12 -48.05 81.4 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.461 0.742 . . . . 0.0 109.343 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 58.6 m -86.9 -35.42 18.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.562 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 25.0 mmt -86.18 77.87 9.48 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.562 1.164 . . . . 0.0 110.969 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 5.1 m -95.48 152.82 39.51 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.416 1.073 . . . . 0.0 109.211 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo . . . . . 0 C--N 1.36 1.144 0 O-C-N 124.565 1.823 . . . . 0.0 111.061 179.866 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.356 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.807 HE22 HD23 ' A' ' 62' ' ' LEU . 8.3 tp-100 -156.04 133.88 11.17 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.554 1.159 . . . . 0.0 110.293 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 39.8 mm -91.15 87.52 2.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 O-C-N 124.401 1.063 . . . . 0.0 109.239 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.1 t -110.34 14.64 22.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.463 1.102 . . . . 0.0 110.496 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -87.94 -19.6 52.99 Favored Glycine 0 CA--C 1.529 0.91 0 O-C-N 124.487 1.117 . . . . 0.0 111.051 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 23.7 mmt85 -83.51 143.38 44.26 Favored Pre-proline 0 C--N 1.326 -0.414 0 O-C-N 124.538 0.787 . . . . 0.0 110.291 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -70.24 -23.95 28.03 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.572 1.827 . . . . 0.0 110.963 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -70.1 -38.65 75.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 110.303 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.763 ' CD2' HD11 ' A' ' 61' ' ' LEU . 58.5 t90 -69.11 -35.75 76.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 107.984 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 6.4 mm -68.74 -38.67 79.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.582 1.177 . . . . 0.0 109.318 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 75.6 t-105 -68.15 -36.24 79.36 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.494 1.121 . . . . 0.0 107.99 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 1.175 HD23 ' CB ' ' A' ' 61' ' ' LEU . 10.1 tp -66.18 -44.39 84.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.264 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 1.195 ' C ' ' OH ' ' A' ' 57' ' ' TYR . . . -64.36 -37.4 87.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.752 ' N ' ' OH ' ' A' ' 57' ' ' TYR . 9.9 tp -65.08 -41.55 94.95 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.462 1.101 . . . . 0.0 109.328 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.56 -40.48 96.09 Favored Glycine 0 CA--C 1.528 0.905 0 O-C-N 124.604 1.19 . . . . 0.0 111.013 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.964 ' N ' ' CZ ' ' A' ' 57' ' ' TYR . 43.4 m -67.77 -34.99 77.89 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.363 0.684 . . . . 0.0 110.441 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.07 -35.46 66.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 109.226 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 58.5 tp -66.0 -53.11 42.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 109.388 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.852 ' SD ' ' HB1' ' A' ' 53' ' ' ALA . 66.9 mtm -63.87 -37.9 89.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 111.005 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -64.12 -40.71 98.34 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.519 1.137 . . . . 0.0 110.992 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 61.6 tp -68.28 -39.66 82.06 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 0.761 . . . . 0.0 109.179 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.06 -43.01 99.44 Favored Glycine 0 CA--C 1.528 0.879 0 O-C-N 124.542 1.151 . . . . 0.0 110.993 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.785 HG23 ' HG2' ' A' ' 50' ' ' PRO . 55.9 m -67.66 -39.8 84.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.4 0.706 . . . . 0.0 110.408 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 61.4 tp -62.66 -46.21 89.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 109.312 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 91.4 t80 -63.02 -38.04 89.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 110.989 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 1.084 ' CD2' HG23 ' A' ' 47' ' ' THR . 88.7 t80 -66.04 -35.17 79.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.118 . . . . 0.0 110.977 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.906 HD23 HG21 ' A' ' 47' ' ' THR . 22.4 mt -72.35 -40.94 66.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 109.333 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 20.4 t -61.52 -46.41 96.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.449 1.093 . . . . 0.0 109.276 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.3 mmpp? -69.28 -33.33 73.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.341 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -61.02 -43.95 98.81 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.612 1.195 . . . . 0.0 110.986 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 73.8 mtm -79.54 -26.99 41.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 0.77 . . . . 0.0 110.916 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 89.4 49.84 3.35 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.501 1.126 . . . . 0.0 111.061 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 25.0 t . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.529 0.782 . . . . 0.0 109.302 -179.973 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo . . . . . 0 N--CA 1.453 -0.866 0 N-CA-C 111.023 -0.414 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -157.88 -50.7 0.07 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.668 1.23 . . . . 0.0 109.327 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.61 -56.12 13.92 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.634 1.209 . . . . 0.0 109.345 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 34.6 mmtm -66.9 -27.59 67.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.608 1.192 . . . . 0.0 109.288 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -64.03 -53.99 41.23 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.475 1.109 . . . . 0.0 109.347 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 81.6 t80 -60.0 -42.55 94.52 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.55 1.156 . . . . 0.0 110.968 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 87.2 t80 -60.83 -40.81 94.18 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.516 1.135 . . . . 0.0 110.922 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.67 -45.92 92.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.548 1.155 . . . . 0.0 109.27 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.4 mp -62.97 -38.63 82.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 O-C-N 124.558 1.161 . . . . 0.0 109.288 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 42.9 m -70.08 -19.39 63.27 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.417 1.073 . . . . 0.0 110.439 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 1.084 HG23 ' CD2' ' A' ' 27' ' ' PHE . 97.2 m -93.37 -17.06 23.97 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.57 1.169 . . . . 0.0 110.254 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.517 HD13 ' HB3' ' A' ' 51' ' ' ALA . 3.5 mm? -101.6 -5.86 24.55 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.536 1.148 . . . . 0.0 109.426 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.547 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 0.9 OUTLIER -64.4 -49.54 71.33 Favored Pre-proline 0 C--N 1.327 -0.41 0 O-C-N 124.469 1.106 . . . . 0.0 109.197 -179.814 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.785 ' HG2' HG23 ' A' ' 24' ' ' THR . 18.4 Cg_endo -75.06 -20.19 16.98 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.487 1.783 . . . . 0.0 111.016 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.66 ' CA ' HG21 ' A' ' 24' ' ' THR . . . -73.38 -42.68 61.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.668 1.23 . . . . 0.0 109.26 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 52.5 mt -73.13 -37.97 53.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.333 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.852 ' HB1' ' SD ' ' A' ' 20' ' ' MET . . . -62.05 -43.57 98.55 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.496 1.122 . . . . 0.0 109.248 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.766 ' HD1' ' O ' ' A' ' 17' ' ' THR . 83.3 t80 -67.31 -41.24 85.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 111.028 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 52.8 m -60.08 -43.24 95.64 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.439 1.087 . . . . 0.0 110.378 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 83.6 mtp -68.64 -40.96 80.04 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.561 1.163 . . . . 0.0 111.087 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 1.195 ' OH ' ' C ' ' A' ' 14' ' ' ALA . 79.5 t80 -63.07 -31.38 72.5 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.571 1.169 . . . . 0.0 111.119 179.813 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.772 ' CD2' HG21 ' A' ' 17' ' ' THR . 0.1 OUTLIER -81.46 -36.04 29.83 Favored 'General case' 0 C--N 1.327 -0.394 0 O-C-N 124.444 1.09 . . . . 0.0 109.334 179.882 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 11.2 t -71.05 -10.12 59.22 Favored 'General case' 0 C--N 1.327 -0.39 0 O-C-N 124.518 1.136 . . . . 0.0 110.127 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 1.09 ' HE2' HD11 ' A' ' 13' ' ' LEU . 56.3 ttp -107.76 -44.72 4.17 Favored 'General case' 0 N--CA 1.453 -0.31 0 O-C-N 124.551 1.157 . . . . 0.0 110.85 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 1.175 ' CB ' HD23 ' A' ' 13' ' ' LEU . 56.1 tp -57.68 -60.0 4.34 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.494 1.121 . . . . 0.0 109.244 -179.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.807 HD23 HE22 ' A' ' 3' ' ' GLN . 0.7 OUTLIER -74.46 -38.19 63.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 89.21 88.81 1.22 Allowed Glycine 0 CA--C 1.531 1.082 0 O-C-N 124.591 1.182 . . . . 0.0 110.872 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -121.26 0.11 10.01 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.618 0.834 . . . . 0.0 111.099 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 177.2 -43.74 0.1 OUTLIER Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.467 1.105 . . . . 0.0 111.126 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 8.9 mp -62.82 -57.22 11.64 Favored 'General case' 0 N--CA 1.449 -0.49 0 O-C-N 124.453 0.737 . . . . 0.0 109.355 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 27.8 m -76.9 -44.09 33.19 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.56 1.162 . . . . 0.0 110.421 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 62.1 mtt -91.23 83.65 5.55 Favored 'General case' 0 C--N 1.328 -0.369 0 O-C-N 124.407 1.067 . . . . 0.0 110.993 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 8.5 m -83.92 152.55 62.68 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.47 1.106 . . . . 0.0 109.19 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo . . . . . 0 C--N 1.361 1.194 0 O-C-N 124.558 1.82 . . . . 0.0 111.064 -179.944 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.253 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -80.41 -43.27 21.28 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.552 1.157 . . . . 0.0 110.272 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 40.0 mm -92.38 130.31 41.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.244 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.7 t -136.21 22.66 3.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 110.473 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -68.99 -60.65 5.1 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.549 1.156 . . . . 0.0 110.975 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -99.82 144.18 27.86 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.493 0.761 . . . . 0.0 110.269 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_endo -72.54 -24.57 18.75 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.444 1.76 . . . . 0.0 111.041 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 51.3 mp0 -67.82 -35.34 78.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.24 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.626 ' NE1' ' O ' ' A' ' 61' ' ' LEU . 48.6 t90 -67.92 -38.9 83.46 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.467 1.104 . . . . 0.0 108.06 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 6.3 mm -67.46 -36.81 77.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 0.0 109.284 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 76.6 t-105 -67.44 -35.09 78.55 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.627 1.205 . . . . 0.0 107.977 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 1.246 HD23 ' CE1' ' A' ' 57' ' ' TYR . 1.3 tt -67.11 -47.7 70.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.339 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 1.286 ' C ' ' OH ' ' A' ' 57' ' ' TYR . . . -61.49 -38.18 86.36 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.359 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.866 ' N ' ' OH ' ' A' ' 57' ' ' TYR . 3.9 tt -65.0 -41.32 95.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.434 ' N ' ' OH ' ' A' ' 57' ' ' TYR . . . -64.17 -42.67 97.89 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.513 1.133 . . . . 0.0 110.995 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 1.126 ' N ' ' CZ ' ' A' ' 57' ' ' TYR . 30.2 m -66.01 -36.95 84.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 0.75 . . . . 0.0 110.457 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.65 -38.09 77.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.446 1.091 . . . . 0.0 109.338 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.5 tt -65.23 -43.88 90.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.345 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 1.564 ' CE ' ' HB1' ' A' ' 53' ' ' ALA . 77.9 mtp -64.14 -45.66 87.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.996 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -63.4 -35.75 92.47 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.532 1.145 . . . . 0.0 111.057 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.5 tt -65.09 -49.3 70.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.568 0.804 . . . . 0.0 109.286 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -61.47 -39.72 97.69 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.464 1.103 . . . . 0.0 110.99 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 1.347 ' OG1' ' CB ' ' A' ' 50' ' ' PRO . 88.9 m -66.66 -34.52 78.05 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.536 0.786 . . . . 0.0 110.469 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.1 tp -62.38 -53.79 49.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -61.45 -36.25 79.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 111.08 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.95 ' CZ ' ' C ' ' A' ' 46' ' ' THR . 90.6 t80 -63.84 -36.87 85.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 110.968 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.613 HD23 HG21 ' A' ' 47' ' ' THR . 23.0 mt -71.54 -40.33 70.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.598 1.186 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 39.3 t -64.32 -38.94 83.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.105 . . . . 0.0 109.375 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 55.7 mttm -73.66 -32.29 63.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.567 1.167 . . . . 0.0 109.335 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -65.26 -45.01 92.81 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.558 1.161 . . . . 0.0 111.023 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 72.7 mtm -78.45 -31.73 48.13 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.395 0.703 . . . . 0.0 111.073 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.453 ' O ' ' C ' ' A' ' 34' ' ' VAL . . . -70.59 -68.47 1.62 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.465 1.103 . . . . 0.0 110.98 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.453 ' C ' ' O ' ' A' ' 33' ' ' GLY . 2.7 p . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.425 0.721 . . . . 0.0 109.349 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.454 -0.839 0 N-CA-C 111.014 -0.418 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -71.2 -32.82 69.31 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.528 1.142 . . . . 0.0 109.27 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -72.1 -40.24 68.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.399 1.062 . . . . 0.0 109.243 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 55.1 mmtt -68.38 -36.33 79.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.631 1.207 . . . . 0.0 109.348 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -66.05 -50.41 64.25 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.667 1.229 . . . . 0.0 109.214 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -58.71 -43.1 90.02 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.563 1.164 . . . . 0.0 111.077 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.484 ' O ' ' HZ ' ' A' ' 27' ' ' PHE . 78.7 t80 -62.79 -39.95 95.84 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.44 1.087 . . . . 0.0 111.05 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.02 -45.8 93.33 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 0.0 109.277 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.4 mp -62.99 -39.52 85.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.6 1.188 . . . . 0.0 109.332 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.95 ' C ' ' CZ ' ' A' ' 27' ' ' PHE . 51.2 m -68.06 -25.56 65.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 110.372 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.613 HG21 HD23 ' A' ' 28' ' ' LEU . 55.3 m -92.94 -8.84 42.04 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 124.441 1.088 . . . . 0.0 110.508 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.9 tp -102.22 -7.16 22.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.409 1.068 . . . . 0.0 109.412 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.544 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 1.3 t -65.06 -50.18 63.03 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 109.184 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 1.347 ' CB ' ' OG1' ' A' ' 24' ' ' THR . 18.2 Cg_endo -74.97 -14.6 21.16 Favored 'Trans proline' 0 C--N 1.361 1.235 0 O-C-N 124.525 1.803 . . . . 0.0 110.957 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -73.5 -50.96 18.8 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.605 1.19 . . . . 0.0 109.247 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 37.6 pt -71.53 -30.72 40.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 1.564 ' HB1' ' CE ' ' A' ' 20' ' ' MET . . . -65.57 -45.72 82.23 Favored 'General case' 0 C--N 1.323 -0.577 0 O-C-N 124.619 1.199 . . . . 0.0 109.317 179.82 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.629 ' HD1' ' O ' ' A' ' 17' ' ' THR . 82.2 t80 -67.96 -37.58 81.73 Favored 'General case' 0 C--N 1.322 -0.611 0 O-C-N 124.55 1.156 . . . . 0.0 110.935 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 83.3 m -62.6 -43.68 98.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.402 1.064 . . . . 0.0 110.302 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 80.7 mtp -69.14 -41.23 77.58 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.449 1.093 . . . . 0.0 111.038 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 1.286 ' OH ' ' C ' ' A' ' 14' ' ' ALA . 81.1 t80 -64.99 -32.57 74.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.432 1.083 . . . . 0.0 110.961 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.6 tp -79.48 -35.3 40.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.429 1.081 . . . . 0.0 109.438 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 47.1 t -73.27 -9.17 58.42 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.65 1.219 . . . . 0.0 110.002 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 1.143 ' CE ' HD11 ' A' ' 13' ' ' LEU . 55.6 ttp -108.21 -41.21 4.96 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.517 1.135 . . . . 0.0 110.918 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.972 HD13 ' N ' ' A' ' 14' ' ' ALA . 14.2 tp -59.24 -65.37 0.68 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.0 mt -74.39 -33.95 63.17 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 124.348 1.03 . . . . 0.0 109.286 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 88.13 92.46 1.04 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.577 1.173 . . . . 0.0 111.043 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -142.67 19.38 2.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 0.779 . . . . 0.0 110.909 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 175.07 -52.63 0.13 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.435 1.084 . . . . 0.0 111.119 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -67.58 -42.88 81.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.645 0.85 . . . . 0.0 109.282 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 17.2 m -78.4 -44.64 24.35 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.46 1.1 . . . . 0.0 110.497 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 55.0 mtm -96.43 84.81 3.78 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.458 1.099 . . . . 0.0 110.98 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 6.3 m -86.31 152.55 55.46 Favored Pre-proline 0 C--N 1.327 -0.402 0 O-C-N 124.483 1.115 . . . . 0.0 109.268 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo . . . . . 0 C--N 1.361 1.195 0 O-C-N 124.358 1.715 . . . . 0.0 111.031 179.956 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 61.5 mm-40 -80.15 -44.14 20.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 110.298 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 40.7 mm -95.07 95.87 5.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.601 1.188 . . . . 0.0 109.428 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.6 t -151.77 62.47 0.86 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 110.381 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -60.8 -37.74 94.13 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.486 1.116 . . . . 0.0 111.014 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.69 126.89 24.63 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.435 0.726 . . . . 0.0 110.325 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -79.25 -9.35 15.17 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.464 1.771 . . . . 0.0 110.962 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -68.98 -40.61 78.71 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.564 1.165 . . . . 0.0 110.362 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.713 ' CE2' HD11 ' A' ' 61' ' ' LEU . 85.9 t90 -71.67 -32.74 68.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 107.992 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 8.5 mm -69.09 -36.78 75.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.566 1.166 . . . . 0.0 109.333 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 75.3 t-105 -69.64 -35.35 75.13 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 1.251 HD23 ' CE1' ' A' ' 57' ' ' TYR . 1.3 tt -66.49 -47.26 73.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.554 1.159 . . . . 0.0 109.29 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.781 ' HA ' HD22 ' A' ' 61' ' ' LEU . . . -61.82 -39.0 90.23 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.405 1.066 . . . . 0.0 109.325 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.9 tt -64.55 -40.96 96.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.242 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.19 -42.18 98.05 Favored Glycine 0 CA--C 1.532 1.097 0 O-C-N 124.524 1.14 . . . . 0.0 110.951 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.986 HG21 ' HG ' ' A' ' 58' ' ' LEU . 33.4 m -66.95 -36.87 83.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.58 0.812 . . . . 0.0 110.392 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.28 -37.64 77.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 11.8 tp -65.47 -46.0 81.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 1.522 ' CE ' ' HB1' ' A' ' 53' ' ' ALA . 78.7 mtp -63.47 -42.2 98.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.401 1.063 . . . . 0.0 110.939 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.478 ' CA ' ' CD1' ' A' ' 54' ' ' PHE . . . -63.95 -39.68 97.54 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.477 1.111 . . . . 0.0 111.037 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.7 tt -67.75 -39.32 84.19 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.457 0.739 . . . . 0.0 109.346 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.4 -42.54 97.6 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.397 1.061 . . . . 0.0 110.965 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 1.23 ' OG1' ' HB2' ' A' ' 50' ' ' PRO . 43.5 m -66.55 -39.99 88.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 0.771 . . . . 0.0 110.37 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 56.5 tp -63.63 -46.26 86.5 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 72.9 t80 -63.02 -37.01 85.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 111.028 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 1.168 ' CD2' HG23 ' A' ' 47' ' ' THR . 86.0 t80 -66.45 -36.61 83.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 111.067 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.773 HD23 HG21 ' A' ' 47' ' ' THR . 20.6 mt -70.41 -42.68 71.32 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.564 1.165 . . . . 0.0 109.347 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 39.1 t -66.55 -34.7 71.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 0.0 109.327 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 27.3 ttpp -71.35 -37.22 71.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -64.9 -49.67 61.94 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.478 1.111 . . . . 0.0 110.985 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 67.0 mtm -68.97 -35.57 76.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 0.752 . . . . 0.0 110.97 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.819 ' O ' HG12 ' A' ' 34' ' ' VAL . . . -65.57 -40.18 95.91 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.422 1.076 . . . . 0.0 111.047 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.819 HG12 ' O ' ' A' ' 33' ' ' GLY . 1.4 p . . . . . 0 C--N 1.326 -0.42 0 O-C-N 124.408 0.71 . . . . 0.0 109.281 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.87 0 N-CA-C 110.977 -0.432 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -157.76 -50.96 0.07 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.434 1.084 . . . . 0.0 109.389 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.22 -54.89 22.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 109.451 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 24.7 mtpp -67.72 -28.26 67.5 Favored 'General case' 0 C--N 1.328 -0.342 0 O-C-N 124.54 1.15 . . . . 0.0 109.249 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -64.94 -48.91 72.41 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.563 1.164 . . . . 0.0 109.118 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 83.1 t80 -63.39 -43.74 96.71 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 124.565 1.166 . . . . 0.0 110.995 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 86.9 t80 -61.04 -41.31 96.34 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.39 1.056 . . . . 0.0 110.933 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.53 -44.92 96.19 Favored 'General case' 0 C--N 1.323 -0.587 0 O-C-N 124.564 1.165 . . . . 0.0 109.298 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 45.4 mt -63.48 -39.25 84.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.403 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.438 ' C ' ' CZ ' ' A' ' 27' ' ' PHE . 45.5 m -70.47 -18.55 62.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.411 1.069 . . . . 0.0 110.414 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 1.168 HG23 ' CD2' ' A' ' 27' ' ' PHE . 97.4 m -93.96 -17.31 23.08 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.563 1.164 . . . . 0.0 110.48 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.508 HD13 ' HB3' ' A' ' 51' ' ' ALA . 3.5 mm? -101.73 -7.03 22.96 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.517 1.136 . . . . 0.0 109.29 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.545 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 0.9 OUTLIER -63.58 -49.93 75.05 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.588 1.18 . . . . 0.0 109.35 179.931 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 1.23 ' HB2' ' OG1' ' A' ' 24' ' ' THR . 18.4 Cg_endo -74.92 -22.59 14.83 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.523 1.802 . . . . 0.0 111.109 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.814 ' CA ' HG21 ' A' ' 24' ' ' THR . . . -70.37 -45.22 66.48 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.553 1.158 . . . . 0.0 109.274 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 6.5 mm -69.74 -38.91 77.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.69 1.244 . . . . 0.0 109.326 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 1.522 ' HB1' ' CE ' ' A' ' 20' ' ' MET . . . -60.15 -41.09 92.02 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.491 1.119 . . . . 0.0 109.207 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.952 ' CD1' ' O ' ' A' ' 17' ' ' THR . 38.2 t80 -66.84 -38.29 86.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.355 1.034 . . . . 0.0 110.946 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 47.2 m -65.25 -41.14 94.62 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.372 1.045 . . . . 0.0 110.305 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 53.2 mtm -69.26 -37.32 77.87 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.515 1.134 . . . . 0.0 110.996 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 1.251 ' CE1' HD23 ' A' ' 13' ' ' LEU . 38.0 t80 -62.21 -35.17 78.06 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.467 1.104 . . . . 0.0 110.902 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.986 ' HG ' HG21 ' A' ' 17' ' ' THR . 43.5 mt -80.81 -34.73 33.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.558 1.161 . . . . 0.0 109.251 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 44.3 t -65.56 -17.02 64.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 0.0 109.895 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.89 ' SD ' HD11 ' A' ' 13' ' ' LEU . 20.1 ttm -104.9 -46.75 4.21 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 124.552 1.158 . . . . 0.0 111.003 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.781 HD22 ' HA ' ' A' ' 14' ' ' ALA . 46.7 tp -55.32 -62.51 1.63 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.645 1.215 . . . . 0.0 109.424 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 10.8 mt -71.77 -34.14 69.19 Favored 'General case' 0 C--N 1.328 -0.356 0 O-C-N 124.451 1.094 . . . . 0.0 109.319 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 75.75 78.57 0.66 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.565 1.165 . . . . 0.0 111.008 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -142.89 22.36 1.94 Allowed 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.552 0.795 . . . . 0.0 110.962 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -172.47 -53.99 0.04 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.672 1.233 . . . . 0.0 111.021 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -73.66 -35.33 65.22 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.466 0.745 . . . . 0.0 109.338 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 57.4 m -82.06 -36.98 27.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.402 1.063 . . . . 0.0 110.342 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 59.0 mtt -83.9 82.33 8.39 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.495 1.122 . . . . 0.0 110.92 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 23.7 m -133.09 153.4 80.84 Favored Pre-proline 0 C--N 1.328 -0.344 0 O-C-N 124.339 1.024 . . . . 0.0 109.256 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo . . . . . 0 C--N 1.359 1.079 0 O-C-N 124.54 1.811 . . . . 0.0 110.924 -179.979 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 3.4 tp60 -150.88 150.61 31.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 110.331 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 37.0 mm -84.77 77.98 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.43 1.082 . . . . 0.0 109.292 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.8 t -90.7 -13.43 34.15 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.482 1.114 . . . . 0.0 110.376 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -67.85 -36.55 87.05 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.557 1.16 . . . . 0.0 111.008 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.4 tpt85 -97.1 108.87 46.56 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.497 0.763 . . . . 0.0 110.225 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo -66.05 -27.9 49.6 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.552 1.817 . . . . 0.0 110.995 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -66.24 -36.64 83.53 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.464 1.102 . . . . 0.0 110.27 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.795 ' CE2' HD11 ' A' ' 61' ' ' LEU . 75.0 t90 -69.32 -36.47 77.0 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.072 -1.084 . . . . 0.0 108.072 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 7.4 mm -69.0 -35.51 69.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.612 1.195 . . . . 0.0 109.266 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 63.7 t90 -68.74 -36.59 78.57 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 1.616 HD23 ' CE1' ' A' ' 57' ' ' TYR . 1.1 tt -67.97 -46.07 72.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.267 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.73 -39.35 91.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.417 1.073 . . . . 0.0 109.316 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 60.0 tp -65.37 -41.09 94.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.604 1.19 . . . . 0.0 109.316 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.04 -41.91 98.37 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.488 1.118 . . . . 0.0 110.921 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.817 ' O ' ' HD1' ' A' ' 54' ' ' PHE . 34.7 m -67.0 -36.82 83.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.581 0.812 . . . . 0.0 110.376 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.64 -37.19 76.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.42 1.075 . . . . 0.0 109.21 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.4 tt -65.69 -45.92 81.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.323 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.741 ' O ' ' HB2' ' A' ' 50' ' ' PRO . 78.5 mtp -63.77 -42.65 97.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 111.022 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -63.73 -39.37 97.41 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.46 1.1 . . . . 0.0 111.021 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 61.6 tp -66.98 -40.74 87.49 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.417 0.716 . . . . 0.0 109.288 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.35 -42.7 99.09 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.483 1.115 . . . . 0.0 110.97 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 1.241 ' CA ' ' HG2' ' A' ' 50' ' ' PRO . 37.9 m -66.72 -40.25 88.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 0.748 . . . . 0.0 110.4 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 59.5 tp -63.25 -45.62 90.67 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.467 1.105 . . . . 0.0 109.284 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 73.7 t80 -62.51 -37.55 86.46 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.527 1.142 . . . . 0.0 111.07 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.484 ' CD2' ' O ' ' A' ' 47' ' ' THR . 88.8 t80 -67.99 -34.65 76.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 111.005 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 23.2 mt -72.03 -39.23 69.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.429 1.081 . . . . 0.0 109.387 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 19.5 t -63.7 -42.22 95.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 109.309 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 40.6 mmtm -74.47 -29.71 61.56 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.562 1.163 . . . . 0.0 109.342 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.559 ' HA2' ' OH ' ' A' ' 43' ' ' TYR . . . -65.41 -43.31 95.13 Favored Glycine 0 CA--C 1.531 1.081 0 O-C-N 124.538 1.149 . . . . 0.0 110.994 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 72.2 mtm -80.94 -33.9 33.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.602 0.825 . . . . 0.0 110.999 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.464 ' O ' ' C ' ' A' ' 34' ' ' VAL . . . -70.44 -68.01 1.75 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.507 1.13 . . . . 0.0 110.959 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.464 ' C ' ' O ' ' A' ' 33' ' ' GLY . 2.7 p . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.477 0.751 . . . . 0.0 109.348 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.455 -0.782 0 N-CA-C 110.923 -0.453 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 40.9 m-20 -72.58 -33.17 66.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.363 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.76 -39.91 72.98 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.481 1.113 . . . . 0.0 109.332 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 57.0 mtmt -70.13 -36.07 74.54 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.398 1.061 . . . . 0.0 109.376 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -66.68 -45.5 78.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.415 1.072 . . . . 0.0 109.39 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 80.6 t80 -63.45 -40.21 96.53 Favored 'General case' 0 N--CA 1.449 -0.48 0 O-C-N 124.375 1.047 . . . . 0.0 111.035 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.559 ' OH ' ' HA2' ' A' ' 31' ' ' GLY . 86.2 t80 -66.84 -38.4 86.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.326 1.016 . . . . 0.0 110.824 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.71 -46.52 85.08 Favored 'General case' 0 C--N 1.322 -0.596 0 O-C-N 124.439 1.087 . . . . 0.0 109.307 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 51.3 mt -62.77 -41.92 94.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 O-C-N 124.394 1.059 . . . . 0.0 109.381 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.416 ' C ' ' CZ ' ' A' ' 27' ' ' PHE . 98.9 m -63.83 -27.82 69.43 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.551 1.157 . . . . 0.0 110.454 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.484 ' O ' ' CD2' ' A' ' 27' ' ' PHE . 90.7 m -87.05 -18.96 29.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.362 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 6.1 mp -103.09 13.28 34.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.562 1.164 . . . . 0.0 109.304 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.566 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 1.0 OUTLIER -60.18 -49.03 92.72 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.396 1.06 . . . . 0.0 109.364 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 1.241 ' HG2' ' CA ' ' A' ' 24' ' ' THR . 18.9 Cg_endo -75.04 -24.15 13.03 Favored 'Trans proline' 0 C--N 1.361 1.223 0 O-C-N 124.456 1.766 . . . . 0.0 111.089 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 1.141 ' CB ' HG21 ' A' ' 24' ' ' THR . . . -70.2 -40.16 74.75 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.583 1.177 . . . . 0.0 109.265 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 47.5 mt -74.21 -39.62 49.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 O-C-N 124.686 1.241 . . . . 0.0 109.247 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.534 ' O ' ' HE1' ' A' ' 20' ' ' MET . . . -61.12 -42.63 98.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.563 1.165 . . . . 0.0 109.3 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.817 ' HD1' ' O ' ' A' ' 17' ' ' THR . 87.5 t80 -67.32 -41.52 85.16 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.425 1.078 . . . . 0.0 111.16 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 53.2 m -60.13 -41.75 93.34 Favored 'General case' 0 N--CA 1.45 -0.43 0 O-C-N 124.353 1.033 . . . . 0.0 110.543 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 83.7 mtp -69.73 -39.31 76.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 110.908 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 1.616 ' CE1' HD23 ' A' ' 13' ' ' LEU . 77.2 t80 -65.75 -31.48 72.49 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.593 1.183 . . . . 0.0 111.055 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -81.82 -33.61 30.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 34.0 t -72.89 -11.83 60.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.963 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 50.1 ttm -106.23 -45.82 4.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.667 1.229 . . . . 0.0 111.071 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.795 HD11 ' CE2' ' A' ' 10' ' ' TRP . 22.1 tp -57.55 -60.77 3.16 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.428 1.08 . . . . 0.0 109.283 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.428 HD22 ' HA ' ' A' ' 62' ' ' LEU . 0.1 OUTLIER -74.71 -46.91 34.48 Favored 'General case' 0 C--N 1.322 -0.625 0 O-C-N 124.59 1.181 . . . . 0.0 109.371 -179.894 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 100.41 89.11 2.02 Favored Glycine 0 CA--C 1.531 1.079 0 O-C-N 124.438 1.086 . . . . 0.0 110.969 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -140.89 17.39 2.31 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.599 0.823 . . . . 0.0 111.096 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 177.71 -48.69 0.1 OUTLIER Glycine 0 CA--C 1.533 1.173 0 O-C-N 124.493 1.12 . . . . 0.0 111.071 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -74.66 -72.85 0.26 Allowed 'General case' 0 C--N 1.323 -0.58 0 O-C-N 124.628 0.84 . . . . 0.0 109.252 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 23.9 m -63.16 -47.51 82.36 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.343 1.027 . . . . 0.0 110.404 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 63.3 mtt -106.91 97.9 7.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.975 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 12.9 m -74.46 152.12 87.6 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.158 . . . . 0.0 109.127 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.357 1.002 0 O-C-N 124.759 1.926 . . . . 0.0 111.064 179.964 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -134.34 75.32 1.58 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.237 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 36.5 mm -89.61 93.41 4.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.424 1.077 . . . . 0.0 109.291 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.8 t -85.8 -12.96 49.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 110.415 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -72.46 -105.63 0.06 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.642 1.214 . . . . 0.0 110.958 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 35.9 ptt-85 -63.37 155.92 72.4 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.515 0.774 . . . . 0.0 110.215 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -101.7 8.43 0.5 Allowed 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.557 1.82 . . . . 0.0 111.039 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -71.36 -43.18 67.4 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.44 1.087 . . . . 0.0 110.317 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 1.537 ' CE2' HD11 ' A' ' 61' ' ' LEU . 79.4 t90 -70.04 -31.56 69.26 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 8.3 mm -70.24 -38.2 73.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 109.314 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 64.3 t90 -68.41 -35.86 78.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 108.06 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 1.535 HD23 ' CE1' ' A' ' 57' ' ' TYR . 1.2 tt -67.16 -46.45 73.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.647 ' HA ' ' CE2' ' A' ' 57' ' ' TYR . . . -61.86 -39.01 90.42 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.454 1.096 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.7 tt -65.41 -40.33 93.24 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.407 1.067 . . . . 0.0 109.294 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.6 -41.83 97.64 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.529 1.143 . . . . 0.0 110.943 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.931 HG23 ' HB3' ' A' ' 57' ' ' TYR . 33.0 m -67.34 -36.82 82.21 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.466 0.745 . . . . 0.0 110.41 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.38 -37.64 77.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 59.8 tp -65.61 -46.46 79.23 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.486 1.116 . . . . 0.0 109.275 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.534 ' HE1' ' O ' ' A' ' 53' ' ' ALA . 78.0 mtp -62.57 -43.38 98.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 111.013 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.21 -43.4 99.16 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.519 1.137 . . . . 0.0 111.012 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.5 tt -63.39 -42.51 98.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 0.769 . . . . 0.0 109.309 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.93 -43.93 97.63 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.581 1.176 . . . . 0.0 111.039 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 1.44 ' OG1' ' CB ' ' A' ' 50' ' ' PRO . 33.9 m -64.46 -38.06 89.7 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.614 0.832 . . . . 0.0 110.393 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.1 tt -63.22 -45.11 93.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.564 1.165 . . . . 0.0 109.369 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -64.27 -38.57 91.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 111.04 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.628 ' CZ ' ' C ' ' A' ' 46' ' ' THR . 88.3 t80 -64.6 -36.78 85.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 110.985 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 20.6 mt -68.98 -40.31 78.89 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.473 1.108 . . . . 0.0 109.344 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 24.3 t -63.34 -38.86 83.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 45.2 mttm -70.13 -37.81 75.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 1.239 ' CA ' ' OH ' ' A' ' 43' ' ' TYR . . . -61.95 -46.41 94.15 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.423 1.077 . . . . 0.0 110.998 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 70.8 mtm -74.91 -28.75 60.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 0.757 . . . . 0.0 111.007 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 86.99 68.32 1.33 Allowed Glycine 0 CA--C 1.531 1.086 0 O-C-N 124.536 1.148 . . . . 0.0 110.873 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 40.2 t . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.469 0.747 . . . . 0.0 109.27 179.924 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.946 0 N-CA-C 110.974 -0.433 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -81.16 -19.96 42.31 Favored 'General case' 0 C--N 1.323 -0.573 0 O-C-N 124.443 1.09 . . . . 0.0 109.219 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -67.51 -35.88 79.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.24 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 27.9 mtmm -70.91 -36.72 72.81 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 124.223 0.952 . . . . 0.0 109.352 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -67.27 -44.66 78.8 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.601 1.188 . . . . 0.0 109.334 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -62.75 -43.7 98.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.115 . . . . 0.0 111.081 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 1.239 ' OH ' ' CA ' ' A' ' 31' ' ' GLY . 81.0 t80 -63.55 -39.94 95.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 111.036 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.2 -44.89 95.57 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.591 1.182 . . . . 0.0 109.254 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 44.4 mt -62.45 -43.06 97.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.411 1.069 . . . . 0.0 109.233 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.628 ' C ' ' CZ ' ' A' ' 27' ' ' PHE . 50.4 m -65.88 -24.7 66.92 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 0.0 110.469 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 96.2 m -87.93 -16.74 33.0 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.51 1.131 . . . . 0.0 110.473 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 5.2 mp -102.92 5.29 38.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.67 1.231 . . . . 0.0 109.336 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.559 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 1.1 t -61.25 -49.44 88.08 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.326 1.017 . . . . 0.0 109.375 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 1.44 ' CB ' ' OG1' ' A' ' 24' ' ' THR . 18.6 Cg_endo -74.8 -23.35 14.34 Favored 'Trans proline' 0 C--N 1.358 1.048 0 O-C-N 124.575 1.829 . . . . 0.0 111.157 179.757 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.927 ' HB2' HG21 ' A' ' 24' ' ' THR . . . -70.61 -41.52 72.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 6.2 mm -73.49 -40.62 55.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.562 1.163 . . . . 0.0 109.248 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.534 ' O ' ' HE1' ' A' ' 20' ' ' MET . . . -60.13 -41.94 93.72 Favored 'General case' 0 C--N 1.327 -0.384 0 O-C-N 124.575 1.172 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.691 ' HD1' ' O ' ' A' ' 17' ' ' THR . 76.5 t80 -68.06 -40.15 82.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.444 1.09 . . . . 0.0 110.95 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 53.7 m -61.65 -42.42 98.88 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.509 1.131 . . . . 0.0 110.43 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -67.34 -44.35 79.3 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.553 1.158 . . . . 0.0 111.057 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 1.535 ' CE1' HD23 ' A' ' 13' ' ' LEU . 86.1 t80 -66.33 -29.64 69.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.589 1.18 . . . . 0.0 111.068 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 13.2 tp -78.3 -33.65 49.26 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 124.432 1.082 . . . . 0.0 109.195 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 46.9 t -70.03 -15.3 62.99 Favored 'General case' 0 C--N 1.328 -0.357 0 O-C-N 124.488 1.117 . . . . 0.0 109.992 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 1.462 ' CE ' ' CD1' ' A' ' 13' ' ' LEU . 57.7 ttp -101.94 -55.37 2.51 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.453 1.096 . . . . 0.0 110.998 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 1.537 HD11 ' CE2' ' A' ' 10' ' ' TRP . 0.2 OUTLIER -56.89 -61.7 2.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.088 . . . . 0.0 109.437 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.02 -40.38 87.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.114 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 85.49 86.79 0.97 Allowed Glycine 0 CA--C 1.532 1.101 0 O-C-N 124.694 1.247 . . . . 0.0 110.903 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -129.52 6.78 5.25 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.563 0.802 . . . . 0.0 111.074 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 177.1 -50.46 0.1 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.354 1.034 . . . . 0.0 110.966 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 5.2 mp -61.86 -48.15 81.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 0.766 . . . . 0.0 109.322 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 18.1 m -80.61 -38.63 28.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.579 1.174 . . . . 0.0 110.519 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 27.8 mtm -96.75 67.57 2.34 Favored 'General case' 0 C--N 1.327 -0.371 0 O-C-N 124.419 1.074 . . . . 0.0 110.926 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.559 ' N ' ' CD ' ' A' ' 70' ' ' PRO . 1.7 t -60.58 -49.56 89.39 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.559 ' CD ' ' N ' ' A' ' 69' ' ' VAL . 19.0 Cg_endo . . . . . 0 C--N 1.359 1.098 0 O-C-N 124.517 1.798 . . . . 0.0 111.104 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 60.8 tp60 -63.79 -44.29 93.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 110.295 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 40.1 mm -90.35 91.04 3.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 O-C-N 124.471 1.107 . . . . 0.0 109.276 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.2 t -141.13 27.69 1.93 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 110.452 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -73.36 158.11 52.47 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.497 1.123 . . . . 0.0 110.963 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 66.8 mmt-85 64.1 156.16 0.12 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.511 0.771 . . . . 0.0 110.304 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -82.63 -7.72 11.51 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.507 1.793 . . . . 0.0 111.099 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -70.2 -36.36 74.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.355 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.471 ' O ' HD11 ' A' ' 61' ' ' LEU . 68.6 t90 -72.06 -33.64 68.1 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.526 1.141 . . . . 0.0 108.038 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 8.4 mm -70.47 -38.07 72.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 73.7 t-105 -69.43 -36.58 76.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.605 1.19 . . . . 0.0 107.991 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 1.648 ' CD2' ' HB2' ' A' ' 61' ' ' LEU . 3.6 tt -66.57 -43.63 84.44 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.525 1.14 . . . . 0.0 109.328 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.54 ' HA ' HD22 ' A' ' 61' ' ' LEU . . . -64.56 -38.54 91.38 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.575 1.172 . . . . 0.0 109.248 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.8 tt -65.22 -40.41 94.08 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.548 1.155 . . . . 0.0 109.362 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.04 -42.24 96.8 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.49 1.119 . . . . 0.0 111.006 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.931 HG23 ' HB3' ' A' ' 57' ' ' TYR . 44.1 m -66.41 -36.97 84.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 0.78 . . . . 0.0 110.436 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.67 -37.42 76.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 109.302 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.5 tt -65.59 -45.64 82.46 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.458 1.099 . . . . 0.0 109.33 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.763 ' O ' ' HB2' ' A' ' 50' ' ' PRO . 78.5 mtp -63.99 -42.13 97.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 110.921 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -64.27 -39.5 97.09 Favored Glycine 0 CA--C 1.529 0.91 0 O-C-N 124.523 1.139 . . . . 0.0 111.049 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 31.6 tp -66.74 -41.1 88.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.459 0.74 . . . . 0.0 109.347 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.28 -43.97 97.66 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.545 1.153 . . . . 0.0 111.03 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 1.264 ' CA ' ' HG2' ' A' ' 50' ' ' PRO . 58.4 m -65.84 -38.31 88.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.444 0.732 . . . . 0.0 110.36 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 59.6 tp -63.91 -48.34 77.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.592 1.183 . . . . 0.0 109.272 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 35.7 t80 -62.0 -34.92 77.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 111.062 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.598 ' CZ ' ' C ' ' A' ' 46' ' ' THR . 89.1 t80 -67.35 -35.41 79.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.441 1.088 . . . . 0.0 110.99 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 21.0 mt -74.36 -33.08 62.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 109.295 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 11.0 t -61.58 -53.67 45.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.609 1.193 . . . . 0.0 109.296 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.5 ptpp? -71.75 -24.23 61.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.331 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.881 ' HA2' ' OH ' ' A' ' 43' ' ' TYR . . . -65.04 -43.83 95.23 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.405 1.065 . . . . 0.0 110.955 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 72.1 mtm -82.55 -34.14 27.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 0.737 . . . . 0.0 111.049 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.481 ' O ' ' C ' ' A' ' 34' ' ' VAL . . . -68.9 -67.62 1.89 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.538 1.149 . . . . 0.0 111.015 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.481 ' C ' ' O ' ' A' ' 33' ' ' GLY . 2.9 p . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.498 0.763 . . . . 0.0 109.354 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo . . . . . 0 N--CA 1.452 -0.92 0 N-CA-C 110.954 -0.441 . . . . 0.0 110.954 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -73.31 -22.48 60.33 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.423 1.077 . . . . 0.0 109.335 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -89.82 -25.37 21.09 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.651 1.22 . . . . 0.0 109.278 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 54.1 mttp -74.06 -47.3 37.64 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.557 1.16 . . . . 0.0 109.222 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 16.5 pttp -63.84 -36.27 83.38 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.329 1.018 . . . . 0.0 109.357 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 81.7 t80 -65.99 -46.83 76.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.562 1.164 . . . . 0.0 110.888 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.881 ' OH ' ' HA2' ' A' ' 31' ' ' GLY . 83.2 t80 -63.84 -34.98 79.14 Favored 'General case' 0 N--CA 1.449 -0.497 0 O-C-N 124.296 0.997 . . . . 0.0 110.995 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.06 -49.01 76.24 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.412 1.07 . . . . 0.0 109.445 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.4 mp -61.62 -41.36 89.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.421 1.075 . . . . 0.0 109.409 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.598 ' C ' ' CZ ' ' A' ' 27' ' ' PHE . 60.7 m -64.41 -28.2 69.52 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.616 1.198 . . . . 0.0 110.414 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.511 ' O ' ' CD2' ' A' ' 27' ' ' PHE . 93.9 m -87.41 -16.97 33.37 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.448 1.093 . . . . 0.0 110.468 179.82 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 21.2 mt -104.5 13.12 32.36 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.3 1.0 . . . . 0.0 109.202 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.56 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 1.0 OUTLIER -60.35 -49.07 92.09 Favored Pre-proline 0 N--CA 1.451 -0.405 0 O-C-N 124.339 1.024 . . . . 0.0 109.249 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 1.264 ' HG2' ' CA ' ' A' ' 24' ' ' THR . 17.8 Cg_endo -75.19 -24.09 12.86 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.415 1.745 . . . . 0.0 110.817 -179.757 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 1.109 ' CB ' HG21 ' A' ' 24' ' ' THR . . . -70.72 -40.11 73.01 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.348 1.03 . . . . 0.0 109.405 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 45.9 mt -73.41 -40.26 56.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.438 1.086 . . . . 0.0 109.342 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.597 ' O ' ' HE1' ' A' ' 20' ' ' MET . . . -61.61 -40.95 96.67 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.637 1.211 . . . . 0.0 109.392 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.647 ' HD1' ' O ' ' A' ' 17' ' ' THR . 82.3 t80 -68.42 -38.5 81.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 111.061 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 41.7 m -60.81 -43.49 98.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 110.252 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 62.2 mtm -68.87 -41.94 77.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.415 1.072 . . . . 0.0 110.873 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 1.051 ' CE1' ' HG ' ' A' ' 13' ' ' LEU . 85.6 t80 -66.02 -29.5 69.88 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 124.426 1.079 . . . . 0.0 111.078 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 9.8 tp -82.85 -31.36 28.07 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.673 1.233 . . . . 0.0 109.347 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 40.6 t -73.45 -13.14 61.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.564 1.165 . . . . 0.0 109.959 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 36.6 ttm -107.52 -56.25 2.24 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.59 1.181 . . . . 0.0 110.901 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 1.648 ' HB2' ' CD2' ' A' ' 13' ' ' LEU . 6.9 tp -55.78 -61.53 2.3 Favored 'General case' 0 C--N 1.321 -0.643 0 O-C-N 124.288 0.993 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.17 -35.64 74.14 Favored 'General case' 0 C--N 1.323 -0.585 0 O-C-N 124.63 1.206 . . . . 0.0 109.331 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 82.36 95.21 0.52 Allowed Glycine 0 CA--C 1.528 0.892 0 O-C-N 124.52 1.137 . . . . 0.0 111.012 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -149.7 23.43 0.89 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.436 0.727 . . . . 0.0 110.836 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 174.84 -51.18 0.13 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.31 1.006 . . . . 0.0 110.974 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 11.3 mt -76.07 -57.11 4.07 Favored 'General case' 0 C--N 1.322 -0.602 0 O-C-N 124.603 0.825 . . . . 0.0 109.244 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 6.2 m -67.45 -27.25 66.88 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.358 1.036 . . . . 0.0 110.459 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 16.2 mmt -58.62 -40.59 83.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.42 1.075 . . . . 0.0 110.943 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 5.5 m -101.46 153.22 37.99 Favored Pre-proline 0 C--N 1.324 -0.541 0 O-C-N 124.378 1.049 . . . . 0.0 109.338 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo . . . . . 0 C--N 1.361 1.187 0 O-C-N 124.356 1.713 . . . . 0.0 111.071 179.987 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -136.86 151.07 48.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.562 1.164 . . . . 0.0 110.284 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 35.5 mm -92.86 79.94 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.529 1.143 . . . . 0.0 109.331 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.8 t -88.25 -3.84 58.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 110.42 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -66.53 -36.48 91.5 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.497 1.123 . . . . 0.0 111.025 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 64.1 mmt-85 -101.48 131.95 22.39 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.463 0.743 . . . . 0.0 110.256 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -74.02 -21.46 18.23 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.417 1.746 . . . . 0.0 110.943 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -71.54 -33.25 68.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.437 1.086 . . . . 0.0 110.278 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.87 ' O ' HD11 ' A' ' 61' ' ' LEU . 69.8 t90 -71.89 -35.46 69.74 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.572 1.17 . . . . 0.0 107.983 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 7.1 mm -70.49 -38.23 72.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.57 1.169 . . . . 0.0 109.295 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 73.5 t-105 -68.28 -36.91 80.11 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 1.049 ' CB ' HD13 ' A' ' 61' ' ' LEU . 3.7 tt -66.63 -43.97 83.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 1.079 ' HB2' HD21 ' A' ' 61' ' ' LEU . . . -63.99 -38.19 90.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.095 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.748 ' N ' ' OH ' ' A' ' 57' ' ' TYR . 3.8 tt -65.68 -40.29 92.2 Favored 'General case' 0 C--N 1.327 -0.373 0 O-C-N 124.547 1.155 . . . . 0.0 109.322 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.85 -40.57 95.59 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.484 1.115 . . . . 0.0 111.015 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 1.036 ' N ' ' CZ ' ' A' ' 57' ' ' TYR . 43.6 m -68.01 -35.13 77.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 0.787 . . . . 0.0 110.374 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.29 -35.12 66.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.411 1.069 . . . . 0.0 109.268 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 58.2 tp -66.25 -53.13 40.58 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.743 ' SD ' ' HB1' ' A' ' 53' ' ' ALA . 67.3 mtm -64.11 -37.95 89.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 110.96 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.409 ' HA3' ' CD1' ' A' ' 54' ' ' PHE . . . -63.83 -41.57 98.77 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.484 1.115 . . . . 0.0 110.97 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 63.4 tp -67.84 -39.36 83.86 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.495 0.762 . . . . 0.0 109.254 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -62.92 -42.93 99.58 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.543 1.152 . . . . 0.0 110.976 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.798 HG23 ' HG2' ' A' ' 50' ' ' PRO . 56.1 m -67.83 -38.88 83.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 0.749 . . . . 0.0 110.412 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 16.0 tp -63.38 -45.62 90.27 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.556 1.16 . . . . 0.0 109.27 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 65.3 t80 -64.1 -37.82 88.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 111.029 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.426 ' CZ ' ' N ' ' A' ' 47' ' ' THR . 92.8 t80 -65.01 -38.34 90.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.985 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.759 HD23 HG21 ' A' ' 47' ' ' THR . 21.1 mt -67.98 -43.98 77.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.438 1.087 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 38.0 t -64.21 -35.32 73.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.268 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.5 ttmm -66.89 -41.86 86.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.29 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 1.373 ' CA ' ' OH ' ' A' ' 43' ' ' TYR . . . -64.76 -42.17 97.25 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.379 1.049 . . . . 0.0 110.998 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -70.37 -33.23 71.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 0.75 . . . . 0.0 111.03 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.446 ' O ' ' C ' ' A' ' 34' ' ' VAL . . . -74.26 -33.82 55.98 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.478 1.111 . . . . 0.0 110.95 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.479 HG22 ' O ' ' A' ' 34' ' ' VAL . 7.1 p . . . . . 0 C--N 1.324 -0.535 0 O-C-N 124.582 0.813 . . . . 0.0 109.253 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.455 -0.736 0 N-CA-C 111.032 -0.411 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -163.03 -48.04 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.605 1.19 . . . . 0.0 109.464 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.52 -38.65 85.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.654 1.221 . . . . 0.0 109.433 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 39.2 mmtm -70.4 -35.6 73.56 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.497 1.123 . . . . 0.0 109.426 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 53.2 mtpt -65.38 -44.18 88.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 109.357 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 84.0 t80 -64.48 -42.5 95.84 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 124.58 1.175 . . . . 0.0 111.088 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 1.373 ' OH ' ' CA ' ' A' ' 31' ' ' GLY . 85.4 t80 -64.16 -40.76 96.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.576 1.173 . . . . 0.0 110.961 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.27 -45.85 91.44 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.461 1.101 . . . . 0.0 109.399 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 50.2 mt -63.26 -37.51 79.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.394 1.059 . . . . 0.0 109.331 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.411 ' C ' ' CZ ' ' A' ' 27' ' ' PHE . 97.7 m -70.27 -21.53 62.96 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.621 1.2 . . . . 0.0 110.448 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.759 HG21 HD23 ' A' ' 28' ' ' LEU . 87.6 m -91.48 -16.82 26.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.632 1.207 . . . . 0.0 110.453 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.496 HD13 ' CB ' ' A' ' 51' ' ' ALA . 3.6 mm? -101.96 -4.14 26.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.623 1.202 . . . . 0.0 109.453 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.551 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 0.9 OUTLIER -64.7 -49.52 69.35 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.616 1.198 . . . . 0.0 109.316 -179.925 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.798 ' HG2' HG23 ' A' ' 24' ' ' THR . 18.1 Cg_endo -75.11 -18.17 18.71 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.552 1.817 . . . . 0.0 110.964 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.642 ' CA ' HG21 ' A' ' 24' ' ' THR . . . -72.97 -46.39 52.57 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 124.546 1.153 . . . . 0.0 109.248 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.5 mp -72.12 -36.84 57.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.384 1.052 . . . . 0.0 109.246 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.743 ' HB1' ' SD ' ' A' ' 20' ' ' MET . . . -62.12 -44.53 96.44 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.397 1.06 . . . . 0.0 109.286 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.821 ' HD1' ' O ' ' A' ' 17' ' ' THR . 88.7 t80 -66.73 -39.48 87.98 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.441 1.088 . . . . 0.0 110.992 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 73.9 m -62.34 -41.49 98.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.417 1.073 . . . . 0.0 110.509 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -69.85 -38.73 76.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.595 1.184 . . . . 0.0 111.045 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 1.055 ' OH ' ' C ' ' A' ' 14' ' ' ALA . 86.1 t80 -64.87 -32.0 73.5 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.009 -0.996 . . . . 0.0 110.923 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -82.9 -31.41 27.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.39 1.056 . . . . 0.0 109.439 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 39.3 t -75.72 -7.98 55.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.415 1.072 . . . . 0.0 109.946 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 26.2 ttt -110.94 -51.25 2.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.57 1.168 . . . . 0.0 111.063 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 1.079 HD21 ' HB2' ' A' ' 14' ' ' ALA . 55.8 tp -54.58 -65.25 0.61 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.404 1.065 . . . . 0.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.9 tp -73.89 -31.96 63.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.555 1.16 . . . . 0.0 109.337 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 80.6 88.57 0.56 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.513 1.133 . . . . 0.0 111.071 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -136.7 16.97 3.09 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.385 0.697 . . . . 0.0 111.029 -179.797 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -177.67 -55.15 0.07 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.476 1.11 . . . . 0.0 111.127 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.92 -42.51 97.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.628 0.84 . . . . 0.0 109.366 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 96.3 m -86.09 -41.97 14.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 110.328 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 60.5 mtt -87.62 84.44 7.1 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 124.338 1.024 . . . . 0.0 110.929 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 5.5 m -98.23 152.49 38.02 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.262 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo . . . . . 0 C--N 1.362 1.242 0 O-C-N 124.549 1.815 . . . . 0.0 110.947 -179.994 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -66.94 -44.52 80.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.536 1.147 . . . . 0.0 110.399 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 38.8 mm -95.03 121.83 45.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.541 1.151 . . . . 0.0 109.234 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.6 t -130.8 21.64 5.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.147 . . . . 0.0 110.385 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -60.91 -49.48 78.1 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.428 1.08 . . . . 0.0 110.945 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 8.2 ptp85 -60.89 155.23 54.66 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.471 0.747 . . . . 0.0 110.276 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_endo -89.84 0.35 5.66 Favored 'Trans proline' 0 C--N 1.361 1.23 0 O-C-N 124.51 1.795 . . . . 0.0 111.005 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -69.5 -34.32 74.14 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.495 1.122 . . . . 0.0 110.225 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 72.7 t90 -73.69 -32.86 64.15 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 8.5 mm -71.29 -37.73 66.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.277 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 76.1 t-105 -69.96 -36.89 75.61 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.495 1.122 . . . . 0.0 108.029 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 1.552 HD22 ' CD2' ' A' ' 61' ' ' LEU . 3.7 tt -66.38 -43.51 85.71 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.506 1.129 . . . . 0.0 109.347 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.62 -38.68 91.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.428 1.08 . . . . 0.0 109.28 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.9 tt -65.1 -40.62 94.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.439 1.087 . . . . 0.0 109.246 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.01 -42.47 96.74 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.391 1.057 . . . . 0.0 111.009 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.944 HG23 ' HB3' ' A' ' 57' ' ' TYR . 41.3 m -66.22 -37.0 84.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.434 0.726 . . . . 0.0 110.372 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.84 -37.49 76.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.158 . . . . 0.0 109.278 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.5 tt -65.52 -45.58 82.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.198 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.669 ' O ' ' HB2' ' A' ' 50' ' ' PRO . 78.6 mtp -64.28 -42.15 96.56 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.478 1.111 . . . . 0.0 111.015 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -63.9 -39.6 97.5 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.463 1.102 . . . . 0.0 110.949 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 60.5 tp -67.6 -39.96 84.76 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.457 0.74 . . . . 0.0 109.299 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.64 -42.93 98.58 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.481 1.113 . . . . 0.0 111.006 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 1.176 ' CA ' ' HG2' ' A' ' 50' ' ' PRO . 45.1 m -67.27 -39.86 86.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 0.773 . . . . 0.0 110.416 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 59.0 tp -63.01 -45.82 90.57 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.416 1.072 . . . . 0.0 109.345 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 69.1 t80 -63.59 -37.13 86.16 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.456 1.097 . . . . 0.0 111.032 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.496 ' CZ ' ' C ' ' A' ' 46' ' ' THR . 88.2 t80 -66.77 -33.92 76.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.576 1.173 . . . . 0.0 111.028 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 22.2 mt -73.96 -42.32 60.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.565 1.165 . . . . 0.0 109.307 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 23.8 t -62.17 -44.68 99.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.516 1.135 . . . . 0.0 109.273 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.9 mmmm -73.06 -28.1 62.12 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.808 ' HA2' ' OH ' ' A' ' 43' ' ' TYR . . . -62.83 -62.08 5.85 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.508 1.13 . . . . 0.0 110.966 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 18.2 ptp -71.26 -19.33 62.37 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.462 0.742 . . . . 0.0 111.103 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -83.99 -6.4 86.72 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.507 1.13 . . . . 0.0 111.027 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 41.9 t . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.511 0.771 . . . . 0.0 109.343 -179.925 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo . . . . . 0 N--CA 1.454 -0.813 0 N-CA-C 110.962 -0.438 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -70.15 -33.28 71.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.378 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -71.21 -39.47 71.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 114.958 -1.019 . . . . 0.0 109.311 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.8 mmmp? -68.71 -36.11 78.02 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.138 . . . . 0.0 109.146 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 7.4 tppt? -67.48 -46.11 73.95 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.525 1.141 . . . . 0.0 109.157 -179.726 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -62.64 -39.8 94.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.692 1.245 . . . . 0.0 110.863 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.808 ' OH ' ' HA2' ' A' ' 31' ' ' GLY . 83.8 t80 -67.08 -39.29 86.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.321 1.013 . . . . 0.0 111.006 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.1 -46.06 89.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.569 1.168 . . . . 0.0 109.242 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 47.7 mt -62.6 -41.91 93.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 O-C-N 124.482 1.114 . . . . 0.0 109.24 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.496 ' C ' ' CZ ' ' A' ' 27' ' ' PHE . 96.7 m -65.44 -26.78 68.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.587 1.18 . . . . 0.0 110.421 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 93.8 m -87.8 -16.45 34.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.534 1.146 . . . . 0.0 110.486 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 24.8 mt -104.46 10.39 35.24 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.664 1.227 . . . . 0.0 109.285 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.562 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 1.0 OUTLIER -60.93 -49.24 89.99 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.565 1.166 . . . . 0.0 109.18 -179.936 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 1.176 ' HG2' ' CA ' ' A' ' 24' ' ' THR . 18.3 Cg_endo -74.95 -23.75 13.6 Favored 'Trans proline' 0 C--N 1.358 1.049 0 O-C-N 124.541 1.811 . . . . 0.0 110.99 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 1.045 ' CB ' HG21 ' A' ' 24' ' ' THR . . . -70.64 -40.82 72.86 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 6.1 mm -73.81 -38.7 51.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.084 . . . . 0.0 109.333 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.475 ' O ' ' HE1' ' A' ' 20' ' ' MET . . . -62.17 -41.9 98.75 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.575 1.172 . . . . 0.0 109.133 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.784 ' HD1' ' O ' ' A' ' 17' ' ' THR . 86.7 t80 -68.37 -39.55 81.73 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.438 1.086 . . . . 0.0 111.092 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 54.2 m -62.28 -43.02 99.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.415 1.072 . . . . 0.0 110.32 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 81.7 mtp -68.04 -43.58 78.39 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.488 1.118 . . . . 0.0 110.842 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.972 ' CE1' ' HG ' ' A' ' 13' ' ' LEU . 78.1 t80 -62.65 -36.46 82.91 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.672 1.233 . . . . 0.0 111.039 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 8.1 tp -74.92 -34.76 62.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.585 1.178 . . . . 0.0 109.329 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 47.3 t -74.36 -6.86 50.55 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 0.0 110.016 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 49.3 ttm -107.25 -41.53 5.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.584 1.177 . . . . 0.0 111.04 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 1.552 ' CD2' HD22 ' A' ' 13' ' ' LEU . 0.2 OUTLIER -61.12 -64.45 0.95 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.605 1.19 . . . . 0.0 109.366 -179.929 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 9.8 mt -74.27 -34.9 63.71 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.385 1.053 . . . . 0.0 109.19 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 88.08 95.0 0.98 Allowed Glycine 0 CA--C 1.533 1.167 0 O-C-N 124.296 0.997 . . . . 0.0 110.986 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -144.01 19.66 1.78 Allowed 'General case' 0 C--N 1.322 -0.599 0 O-C-N 124.527 0.781 . . . . 0.0 111.061 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 172.78 -49.55 0.17 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.54 1.15 . . . . 0.0 110.995 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -70.95 -61.97 1.57 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 0.788 . . . . 0.0 109.283 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 19.8 m -78.6 -45.22 22.14 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.462 1.101 . . . . 0.0 110.28 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 24.6 mmt -100.88 80.11 2.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.626 1.204 . . . . 0.0 111.019 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.559 ' N ' ' CD ' ' A' ' 70' ' ' PRO . 2.1 t -60.95 -49.19 90.19 Favored Pre-proline 0 C--N 1.322 -0.587 0 O-C-N 124.706 1.254 . . . . 0.0 109.434 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.559 ' CD ' ' N ' ' A' ' 69' ' ' VAL . 18.6 Cg_endo . . . . . 0 C--N 1.36 1.152 0 O-C-N 124.395 1.734 . . . . 0.0 110.994 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.351 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -153.99 132.89 12.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 110.31 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 39.7 mm -91.58 94.26 4.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.335 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.0 t -129.14 20.48 5.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 110.39 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -86.87 -50.71 3.62 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.497 1.123 . . . . 0.0 110.997 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 30.9 mmm-85 -90.43 124.54 62.5 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.535 0.785 . . . . 0.0 110.323 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -69.81 -20.58 34.4 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.47 1.774 . . . . 0.0 111.018 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -71.27 -34.54 70.8 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.52 1.137 . . . . 0.0 110.34 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 1.434 ' CD1' ' CD1' ' A' ' 61' ' ' LEU . 71.2 t90 -71.16 -35.41 71.64 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 107.967 -1.124 . . . . 0.0 107.967 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 7.4 mm -70.98 -37.8 69.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 62.9 t90 -68.15 -37.83 81.48 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.918 -1.142 . . . . 0.0 107.918 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 1.644 ' CB ' HD23 ' A' ' 61' ' ' LEU . 3.5 tt -66.85 -43.3 84.0 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.58 -38.61 91.78 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.5 tp -65.34 -41.4 93.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.574 1.171 . . . . 0.0 109.383 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.03 -40.44 97.08 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.534 1.146 . . . . 0.0 111.031 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 1.497 ' OG1' ' CD1' ' A' ' 57' ' ' TYR . 44.2 m -68.2 -35.54 78.15 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.423 0.72 . . . . 0.0 110.297 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.68 -34.08 66.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.268 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 57.9 tp -67.25 -52.38 41.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 109.301 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.958 ' SD ' ' HB1' ' A' ' 53' ' ' ALA . 65.5 mtm -65.32 -33.9 77.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 111.061 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.571 ' HA3' ' CD1' ' A' ' 54' ' ' PHE . . . -67.75 -41.85 88.15 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.594 1.184 . . . . 0.0 111.048 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 62.7 tp -68.3 -40.87 81.59 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.564 0.802 . . . . 0.0 109.282 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.56 -39.24 97.41 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.462 1.101 . . . . 0.0 111.001 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 1.373 ' OG1' ' CB ' ' A' ' 50' ' ' PRO . 92.7 m -69.82 -39.98 76.18 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.453 0.737 . . . . 0.0 110.43 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.7 tt -64.12 -43.46 95.22 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 124.429 1.08 . . . . 0.0 109.352 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 81.4 t80 -65.22 -37.23 86.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 111.03 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 1.045 ' HD2' HG23 ' A' ' 47' ' ' THR . 92.1 t80 -66.3 -36.38 82.81 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.363 1.04 . . . . 0.0 111.075 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.888 HD23 HG21 ' A' ' 47' ' ' THR . 21.8 mt -70.57 -44.16 67.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.541 1.15 . . . . 0.0 109.3 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 33.6 t -64.25 -36.82 78.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 0.0 109.36 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -71.33 -35.12 71.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -67.69 -38.38 89.87 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.496 1.123 . . . . 0.0 111.135 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -77.2 -35.97 55.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 0.764 . . . . 0.0 111.008 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.455 ' O ' ' C ' ' A' ' 34' ' ' VAL . . . -72.08 -65.9 2.24 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.432 1.083 . . . . 0.0 110.991 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.455 ' C ' ' O ' ' A' ' 33' ' ' GLY . 2.7 p . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.493 0.76 . . . . 0.0 109.27 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.454 -0.848 0 N-CA-C 111.08 -0.392 . . . . 0.0 111.08 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -157.5 -50.73 0.07 Allowed 'General case' 0 C--N 1.327 -0.397 0 O-C-N 124.448 1.092 . . . . 0.0 109.239 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.02 -53.76 44.97 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.545 1.153 . . . . 0.0 109.339 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 60.3 mtpt -67.36 -28.37 67.89 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.535 1.147 . . . . 0.0 109.364 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.8 tppt? -64.33 -49.61 71.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.602 1.189 . . . . 0.0 109.412 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -62.87 -43.76 97.92 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.537 1.148 . . . . 0.0 110.794 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 87.1 t80 -61.14 -41.41 96.68 Favored 'General case' 0 C--N 1.323 -0.582 0 O-C-N 124.557 1.161 . . . . 0.0 110.854 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.66 -44.38 97.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.595 1.184 . . . . 0.0 109.332 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 44.9 mt -63.91 -39.21 84.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 O-C-N 124.612 1.195 . . . . 0.0 109.25 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.482 ' C ' ' CZ ' ' A' ' 27' ' ' PHE . 48.9 m -70.35 -18.82 63.08 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.661 1.226 . . . . 0.0 110.459 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 1.045 HG23 ' HD2' ' A' ' 27' ' ' PHE . 97.6 m -93.67 -17.3 23.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 110.334 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.526 HD13 ' HB3' ' A' ' 51' ' ' ALA . 3.5 mm? -101.86 -6.94 22.94 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.144 . . . . 0.0 109.33 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.548 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 0.9 OUTLIER -63.47 -49.49 77.98 Favored Pre-proline 0 N--CA 1.452 -0.362 0 O-C-N 124.513 1.133 . . . . 0.0 109.413 -179.932 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 1.373 ' CB ' ' OG1' ' A' ' 24' ' ' THR . 18.6 Cg_endo -74.99 -21.06 16.28 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.327 1.698 . . . . 0.0 111.064 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.773 ' CA ' HG21 ' A' ' 24' ' ' THR . . . -73.07 -41.5 64.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.601 1.188 . . . . 0.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 49.9 mt -72.31 -37.28 57.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 O-C-N 124.41 1.069 . . . . 0.0 109.37 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.958 ' HB1' ' SD ' ' A' ' 20' ' ' MET . . . -64.05 -42.7 96.93 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.417 1.073 . . . . 0.0 109.348 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.98 ' CD1' ' O ' ' A' ' 17' ' ' THR . 50.6 t80 -66.51 -37.81 85.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.133 . . . . 0.0 111.103 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 94.6 m -67.23 -42.42 84.05 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.56 1.162 . . . . 0.0 110.377 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 79.0 mtp -67.2 -37.42 83.61 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.547 1.154 . . . . 0.0 111.088 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 1.497 ' CD1' ' OG1' ' A' ' 17' ' ' THR . 27.4 t80 -61.1 -39.07 88.57 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.549 1.156 . . . . 0.0 111.027 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 1.041 ' HG ' HG21 ' A' ' 17' ' ' THR . 20.5 mt -77.48 -30.61 53.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.611 1.194 . . . . 0.0 109.208 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 22.7 t -75.13 -6.8 51.5 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.442 1.089 . . . . 0.0 109.929 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 1.298 ' CE ' ' CD1' ' A' ' 13' ' ' LEU . 49.6 ttp -110.03 -50.76 2.94 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.499 1.124 . . . . 0.0 110.963 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 1.644 HD23 ' CB ' ' A' ' 13' ' ' LEU . 0.2 OUTLIER -57.4 -61.96 2.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.306 1.004 . . . . 0.0 109.29 -179.89 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.5 mt -74.26 -33.44 63.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.356 1.035 . . . . 0.0 109.226 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 79.76 91.86 0.42 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.363 1.04 . . . . 0.0 111.032 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -143.06 18.99 1.94 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 0.752 . . . . 0.0 111.015 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 176.57 -53.03 0.11 Allowed Glycine 0 CA--C 1.532 1.141 0 CA-C-N 114.868 -1.06 . . . . 0.0 110.938 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.7 -60.55 2.32 Favored 'General case' 0 C--N 1.323 -0.572 0 O-C-N 124.623 0.837 . . . . 0.0 109.28 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 27.2 m -78.98 -46.84 17.43 Favored 'General case' 0 C--N 1.322 -0.599 0 O-C-N 124.602 1.188 . . . . 0.0 110.405 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 25.8 mmt -102.52 83.38 2.28 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.494 1.121 . . . . 0.0 110.836 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.548 ' N ' ' CD ' ' A' ' 70' ' ' PRO . 1.9 t -60.29 -49.41 90.65 Favored Pre-proline 0 C--N 1.324 -0.54 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.548 ' CD ' ' N ' ' A' ' 69' ' ' VAL . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.161 0 O-C-N 124.425 1.75 . . . . 0.0 110.982 179.982 . . . . . . . . 1 1 . 1 stop_ save_