data_1ug0_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 1ug0 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.333 -0.247 . . . . 0.0 110.333 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.42 ' O ' ' N ' ' A' ' 13' ' ' GLN . 3.9 p30 -48.84 -24.21 1.36 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.142 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.571 ' CE2' ' HG3' ' A' ' 82' ' ' LYS . 0.9 OUTLIER -48.5 -31.29 6.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.098 . . . . 0.0 111.036 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.449 ' N ' ' CD1' ' A' ' 11' ' ' TYR . 6.2 pt-20 -88.66 -22.5 23.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.531 1.145 . . . . 0.0 110.296 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.42 ' N ' ' O ' ' A' ' 10' ' ' ASP . 0.2 OUTLIER -63.62 -11.71 27.38 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.49 1.119 . . . . 0.0 110.314 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 28.4 m95 -88.84 -43.67 11.05 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.496 ' CD1' ' O ' ' A' ' 75' ' ' ARG . 0.7 OUTLIER -48.98 -24.65 1.58 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 109.305 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -63.99 -32.45 74.0 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.557 1.161 . . . . 0.0 110.248 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -110.39 94.82 3.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.466 1.104 . . . . 0.0 109.275 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.3 mmmm -81.34 171.55 14.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.269 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.404 ' CG2' ' HB2' ' A' ' 72' ' ' TYR . 1.1 m -88.25 159.89 2.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.492 ' HA ' ' C ' ' A' ' 21' ' ' PRO . 55.2 p -110.51 150.55 41.83 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.132 . . . . 0.0 110.024 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.492 ' C ' ' HA ' ' A' ' 20' ' ' SER . 18.5 Cg_endo -74.93 174.41 52.75 Favored 'Cis proline' 0 C--N 1.36 1.141 0 C-N-CA 121.041 -2.483 . . . . 0.0 111.026 -0.043 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 4.26 4.9 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.477 1.777 . . . . 0.0 111.012 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -77.63 -14.53 59.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 110.278 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -56.36 -20.41 29.49 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.493 1.121 . . . . 0.0 110.995 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.01 -22.49 27.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 0.769 . . . . 0.0 109.359 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -69.37 -37.11 77.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 110.298 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.432 ' O ' ' N ' ' A' ' 30' ' ' VAL . 25.3 m -92.99 -15.04 26.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.397 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.419 ' HD2' ' N ' ' A' ' 29' ' ' ARG . 0.1 OUTLIER -45.14 -46.2 11.8 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.504 1.128 . . . . 0.0 110.294 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.419 ' N ' ' HD2' ' A' ' 28' ' ' ARG . 9.7 mtm-85 -53.83 -30.11 43.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 110.274 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.432 ' N ' ' O ' ' A' ' 27' ' ' THR . 42.3 t -91.3 -41.12 13.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.467 ' CG2' ' HA ' ' A' ' 73' ' ' TYR . 27.7 mt -58.27 -57.94 8.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 0.0 109.279 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -47.32 -30.15 2.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.308 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.4 tptt -62.58 -48.94 77.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.459 ' CD2' HD13 ' A' ' 62' ' ' LEU . 56.1 tp -58.79 -62.64 1.72 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.481 ' CB ' HG21 ' A' ' 77' ' ' VAL . . . -46.31 -55.88 6.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.275 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.435 ' O ' ' CB ' ' A' ' 40' ' ' GLU . 4.6 ttt180 -54.88 -23.61 19.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 110.268 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.436 ' N ' ' O ' ' A' ' 34' ' ' LEU . 10.0 t80 -93.81 -21.22 19.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 111.01 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.441 ' N ' ' O ' ' A' ' 34' ' ' LEU . 27.0 t -92.79 -75.69 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.446 ' CB ' HD12 ' A' ' 80' ' ' ILE . . . -42.0 -27.85 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.241 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.438 ' N ' ' C ' ' A' ' 38' ' ' VAL . 3.8 tp10 -67.37 -62.31 1.48 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.099 . . . . 0.0 110.268 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -83.4 -59.54 2.12 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.558 1.161 . . . . 0.0 111.046 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 38' ' ' VAL . . . 148.95 -146.4 15.79 Favored Glycine 0 CA--C 1.53 0.975 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -30.77 6.92 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.478 1.778 . . . . 0.0 111.001 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -51.31 -36.29 41.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 110.296 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.541 ' N ' ' CD2' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -70.35 -53.54 16.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 0.0 109.328 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.32 -23.76 2.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 110.296 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -84.33 -38.76 19.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.273 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 47.1 t -73.43 -37.63 51.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.327 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -55.12 -42.36 72.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.298 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 20.5 mtt -58.93 -22.97 60.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.557 1.16 . . . . 0.0 111.054 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -93.78 -40.93 9.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 110.294 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -53.22 -46.6 69.16 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.803 ' CD2' ' CD2' ' A' ' 59' ' ' PHE . 0.6 OUTLIER -108.4 28.39 8.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 111.01 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -40.18 -46.27 2.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -116.99 73.98 0.89 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -135.13 119.15 13.29 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.257 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.487 ' HA ' ' CG2' ' A' ' 60' ' ' THR . 18.4 Cg_endo -75.03 0.09 9.35 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.513 1.796 . . . . 0.0 111.021 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -99.74 -45.46 5.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.287 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.803 ' CD2' ' CD2' ' A' ' 53' ' ' TYR . 0.9 OUTLIER -88.01 29.3 0.95 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 110.979 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.487 ' CG2' ' HA ' ' A' ' 57' ' ' PRO . 61.1 p -63.53 -12.72 34.61 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.145 . . . . 0.0 110.315 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.572 ' CE2' HD12 ' A' ' 62' ' ' LEU . 39.5 p90 -74.14 -37.72 63.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 111.035 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.572 HD12 ' CE2' ' A' ' 61' ' ' PHE . 2.4 tp -40.19 -71.45 0.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.455 ' CD2' ' H ' ' A' ' 63' ' ' HIS . 5.1 m-70 -47.88 -72.03 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.557 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 63' ' ' HIS . 11.4 m-20 -40.35 150.29 0.06 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.425 ' HE2' ' CE2' ' A' ' 70' ' ' PHE . 2.7 mtpt -130.41 37.26 3.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.261 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -160.01 35.79 0.18 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 0.0 109.276 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.8 t -114.98 132.22 56.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 110.036 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.46 ' HG2' ' N ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -44.63 -31.78 1.26 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 110.332 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.46 ' N ' ' HG2' ' A' ' 68' ' ' ARG . 0.5 OUTLIER -63.15 -44.54 95.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 110.317 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.425 ' CE2' ' HE2' ' A' ' 65' ' ' LYS . 64.2 t80 -66.36 -16.37 64.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.098 . . . . 0.0 111.021 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 28.1 mt -86.75 -53.74 4.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.404 ' HB2' ' CG2' ' A' ' 19' ' ' VAL . 52.6 t80 -55.84 -33.61 64.66 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.513 1.133 . . . . 0.0 111.01 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.467 ' HA ' ' CG2' ' A' ' 31' ' ' ILE . 0.9 OUTLIER -64.58 -31.98 73.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 111.011 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.58 -34.92 25.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.284 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.496 ' O ' ' CD1' ' A' ' 15' ' ' LEU . 13.1 mmt180 -63.09 -27.79 69.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 110.327 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.461 ' O ' ' N ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -89.7 -37.7 14.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.368 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.481 HG21 ' CB ' ' A' ' 35' ' ' ALA . 1.5 t -48.89 -40.75 12.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.343 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.61 -29.77 69.43 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.457 1.098 . . . . 0.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 76' ' ' LYS . 1.2 tm-20 -72.49 -61.6 1.74 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.562 1.164 . . . . 0.0 110.311 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.446 HD12 ' CB ' ' A' ' 39' ' ' ALA . 0.0 OUTLIER -60.21 -35.48 62.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.461 1.1 . . . . 0.0 109.29 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.446 ' HG2' ' CB ' ' A' ' 39' ' ' ALA . 9.1 mmm180 -49.39 -60.69 2.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 110.325 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.571 ' HG3' ' CE2' ' A' ' 11' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.423 1.077 . . . . 0.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.338 -0.245 . . . . 0.0 110.338 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.419 ' O ' ' N ' ' A' ' 13' ' ' GLN . 0.7 OUTLIER -43.01 -32.43 0.65 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.336 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.58 ' C ' ' CD1' ' A' ' 11' ' ' TYR . 1.3 p90 -49.73 -21.56 1.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 111.022 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -100.64 -20.81 15.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.282 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.419 ' N ' ' O ' ' A' ' 10' ' ' ASP . 0.0 OUTLIER -64.19 -11.41 30.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.258 -179.956 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.499 ' HA ' ' CD1' ' A' ' 17' ' ' ILE . 36.3 m95 -88.51 -31.9 18.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 107.957 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.466 HD22 ' CG ' ' A' ' 79' ' ' GLU . 0.9 OUTLIER -60.62 -31.48 70.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -54.56 -30.45 54.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.098 . . . . 0.0 110.342 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.499 ' CD1' ' HA ' ' A' ' 14' ' ' TRP . 0.1 OUTLIER -112.33 94.98 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.267 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.94 173.18 3.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 109.293 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.468 ' CG2' ' HA ' ' A' ' 72' ' ' TYR . 78.9 t -97.21 141.03 16.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.269 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.486 ' HA ' ' C ' ' A' ' 21' ' ' PRO . 78.3 p -97.29 150.1 36.44 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.012 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.486 ' C ' ' HA ' ' A' ' 20' ' ' SER . 18.4 Cg_endo -75.01 174.32 53.34 Favored 'Cis proline' 0 C--N 1.36 1.141 0 C-N-CA 120.99 -2.504 . . . . 0.0 111.022 -0.022 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 4.4 4.76 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.423 1.749 . . . . 0.0 110.962 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -74.72 -31.32 61.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.438 1.086 . . . . 0.0 110.303 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -63.35 -13.67 50.79 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.541 1.151 . . . . 0.0 110.98 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.423 ' O ' ' CG ' ' A' ' 28' ' ' ARG . . . -53.49 -55.55 24.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 0.781 . . . . 0.0 109.343 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -57.88 -28.06 63.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 110.274 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 9.4 m -80.49 -15.04 57.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 110.402 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.426 ' CD ' ' CD ' ' A' ' 32' ' ' GLU . 0.5 OUTLIER -48.94 -29.88 5.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.274 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.413 ' N ' ' HG3' ' A' ' 28' ' ' ARG . 0.1 OUTLIER -64.78 -26.59 68.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 0.0 110.282 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 47.6 t -95.13 -21.41 5.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 109.269 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.518 HD11 ' CD2' ' A' ' 72' ' ' TYR . 38.6 mt -85.52 -55.83 6.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.426 ' CD ' ' CD ' ' A' ' 28' ' ' ARG . 88.5 mt-10 -42.24 -39.32 2.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 110.283 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.8 tppt? -58.61 -48.14 81.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.271 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.503 HD22 ' CE1' ' A' ' 73' ' ' TYR . 0.6 OUTLIER -52.83 -46.21 67.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 0.0 109.328 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.439 ' CB ' HG21 ' A' ' 77' ' ' VAL . . . -70.49 -61.05 1.92 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.161 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.494 ' O ' ' CG ' ' A' ' 40' ' ' GLU . 1.6 ttt85 -46.03 -27.3 0.9 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.282 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 18.0 t80 -88.55 -46.71 8.87 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 111.016 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.424 ' C ' ' N ' ' A' ' 40' ' ' GLU . 5.1 t -69.02 -72.01 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.451 ' CB ' ' HG2' ' A' ' 81' ' ' ARG . . . -39.24 -31.82 0.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.494 ' CG ' ' O ' ' A' ' 36' ' ' ARG . 5.7 mm-40 -62.91 -66.09 0.59 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 110.303 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -77.97 -66.65 1.73 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.526 1.141 . . . . 0.0 110.984 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 155.77 -144.29 10.76 Favored Glycine 0 CA--C 1.531 1.041 0 N-CA-C 110.956 -0.857 . . . . 0.0 110.956 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -33.43 4.6 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.5 1.79 . . . . 0.0 111.033 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.44 -29.07 14.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.337 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.566 ' N ' ' CD2' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -77.69 -38.74 46.77 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.49 -40.58 95.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 110.314 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.4 mttt -68.94 -40.68 78.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 70.0 t -70.32 -35.87 64.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.122 . . . . 0.0 109.333 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -55.25 -43.53 74.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 6.4 mtt -65.9 -12.57 55.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 110.97 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -93.9 -42.13 9.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.337 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 39.0 t0 -66.18 -38.81 88.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.277 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.793 ' CD2' ' CD2' ' A' ' 59' ' ' PHE . 4.7 m-85 -107.53 29.14 7.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.989 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -44.78 -57.4 3.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.095 . . . . 0.0 109.332 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -114.93 82.2 1.69 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.44 1.088 . . . . 0.0 109.281 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -135.08 120.09 13.82 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 109.28 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.48 ' HA ' ' CG2' ' A' ' 60' ' ' THR . 18.3 Cg_endo -75.0 -1.4 11.18 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.531 1.806 . . . . 0.0 110.994 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -99.6 -46.01 5.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.443 1.089 . . . . 0.0 109.287 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.793 ' CD2' ' CD2' ' A' ' 53' ' ' TYR . 0.8 OUTLIER -87.93 28.47 1.03 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 111.013 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.48 ' CG2' ' HA ' ' A' ' 57' ' ' PRO . 60.3 p -60.99 -13.68 17.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.16 . . . . 0.0 110.406 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.571 ' CE2' HD13 ' A' ' 62' ' ' LEU . 40.0 p90 -73.81 -36.74 65.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 111.01 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.571 HD13 ' CE2' ' A' ' 61' ' ' PHE . 4.2 tp -46.7 -71.88 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 109.28 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.479 ' H ' ' CD2' ' A' ' 63' ' ' HIS . 4.0 m-70 -50.92 -60.46 3.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.565 1.165 . . . . 0.0 109.625 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.99 75.36 0.92 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.346 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.543 ' HG2' ' CE1' ' A' ' 70' ' ' PHE . 26.2 mtpt -44.7 -41.25 6.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 109.288 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -88.37 54.05 2.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 109.324 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 8.4 p -100.68 -81.46 0.47 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 110.046 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.487 ' HG2' ' N ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER 174.68 -30.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 110.272 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.487 ' N ' ' HG2' ' A' ' 68' ' ' ARG . 0.4 OUTLIER -88.96 -32.54 17.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.3 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.543 ' CE1' ' HG2' ' A' ' 65' ' ' LYS . 58.4 t80 -63.08 -29.93 71.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 110.945 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.467 ' CD2' ' N ' ' A' ' 71' ' ' LEU . 1.3 mm? -72.88 -51.62 17.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.518 ' CD2' HD11 ' A' ' 31' ' ' ILE . 91.7 t80 -57.81 -35.4 70.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.097 . . . . 0.0 111.026 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.503 ' CE1' HD22 ' A' ' 34' ' ' LEU . 2.3 t80 -61.08 -45.45 94.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 111.036 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.33 -29.91 70.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.1 . . . . 0.0 110.255 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 44.3 mmt-85 -67.49 -46.48 72.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 110.301 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.443 ' O ' ' N ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -73.27 -37.75 66.19 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.56 1.163 . . . . 0.0 109.285 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.494 ' O ' ' CG ' ' A' ' 81' ' ' ARG . 2.0 t -49.38 -40.56 14.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.133 . . . . 0.0 109.285 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -68.97 -28.36 66.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.466 ' CG ' HD22 ' A' ' 15' ' ' LEU . 18.5 tp10 -75.97 -54.37 6.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.34 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.438 ' CD1' ' HB2' ' A' ' 39' ' ' ALA . 0.0 OUTLIER -65.95 -40.03 86.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.323 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.494 ' CG ' ' O ' ' A' ' 77' ' ' VAL . 2.7 mmm180 -44.67 -68.51 0.19 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 110.315 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.569 ' HG3' ' CD2' ' A' ' 11' ' ' TYR . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.5 ' O ' ' CG ' ' A' ' 12' ' ' GLU . 13.8 mt-10 . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.491 ' O ' ' N ' ' A' ' 13' ' ' GLN . 36.7 m-20 -40.99 -55.35 2.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.319 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.577 ' CE1' ' HB3' ' A' ' 12' ' ' GLU . 0.2 OUTLIER -38.08 -29.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 111.029 179.948 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.577 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 2.9 pt-20 -109.28 -23.66 11.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 110.3 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.491 ' N ' ' O ' ' A' ' 10' ' ' ASP . 0.0 OUTLIER -74.26 -15.07 60.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 110.271 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.473 ' HA ' ' CD1' ' A' ' 17' ' ' ILE . 24.5 m95 -85.01 -24.34 28.26 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 tp -66.33 -29.08 69.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -55.49 -33.08 63.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 110.286 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.473 ' CD1' ' HA ' ' A' ' 14' ' ' TRP . 0.1 OUTLIER -104.72 94.81 3.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.99 170.55 9.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.447 HG21 ' N ' ' A' ' 72' ' ' TYR . 25.5 t -102.16 119.0 49.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.563 1.165 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.48 ' HA ' ' C ' ' A' ' 21' ' ' PRO . 3.6 p -71.5 150.54 93.8 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 110.01 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.48 ' C ' ' HA ' ' A' ' 20' ' ' SER . 18.3 Cg_endo -75.03 174.41 52.83 Favored 'Cis proline' 0 C--N 1.36 1.15 0 C-N-CA 121.015 -2.494 . . . . 0.0 110.989 0.024 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 4.32 4.85 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.513 1.796 . . . . 0.0 110.977 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -74.11 -19.14 60.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.342 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -57.48 -17.84 27.61 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.466 1.104 . . . . 0.0 111.021 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -47.21 -30.15 2.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 0.749 . . . . 0.0 109.338 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -85.71 -63.09 1.38 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.295 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.512 ' CG2' ' CG1' ' A' ' 30' ' ' VAL . 17.8 m -49.34 -23.35 1.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.395 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.3 tmm_? -47.13 -26.41 1.11 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 0.0 110.317 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 93.7 mtt180 -71.67 -37.16 70.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.448 1.092 . . . . 0.0 110.298 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.566 HG23 ' CE2' ' A' ' 59' ' ' PHE . 11.9 p -82.76 -13.96 12.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.465 ' CG2' ' HA ' ' A' ' 73' ' ' TYR . 19.7 mt -93.53 -52.74 9.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.127 . . . . 0.0 109.234 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.441 ' OE2' ' NZ ' ' A' ' 76' ' ' LYS . 1.8 mt-10 -48.81 -35.35 14.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 110.322 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.0 mmtp -65.22 -45.51 84.43 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.488 1.117 . . . . 0.0 109.298 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.472 ' CD2' HG21 ' A' ' 38' ' ' VAL . 0.2 OUTLIER -64.27 -47.18 80.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.471 ' CB ' HG22 ' A' ' 77' ' ' VAL . . . -65.41 -47.61 75.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.434 ' O ' ' CB ' ' A' ' 40' ' ' GLU . 0.8 OUTLIER -55.29 -42.69 73.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.282 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.418 ' CZ ' ' CD1' ' A' ' 45' ' ' LEU . 34.9 t80 -73.26 -33.01 65.03 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.536 1.147 . . . . 0.0 110.994 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.472 HG21 ' CD2' ' A' ' 34' ' ' LEU . 2.5 t -73.25 -76.02 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.276 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.468 ' HB2' ' CD1' ' A' ' 80' ' ' ILE . . . -42.03 -28.53 0.18 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.44 ' N ' ' C ' ' A' ' 38' ' ' VAL . 2.9 tp10 -59.89 -57.86 11.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.11 . . . . 0.0 110.267 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.402 ' N ' ' HG3' ' A' ' 40' ' ' GLU . . . -91.24 -50.08 2.89 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.542 1.151 . . . . 0.0 111.01 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 38' ' ' VAL . . . 140.85 -148.05 19.69 Favored Glycine 0 CA--C 1.531 1.058 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -25.75 11.51 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.544 1.813 . . . . 0.0 110.952 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.479 ' O ' ' CG2' ' A' ' 48' ' ' VAL . 1.5 tm-20 -56.31 -32.68 64.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.297 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.564 ' N ' ' CD2' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -74.82 -48.66 24.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.092 . . . . 0.0 109.302 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 54.7 tt0 -49.66 -52.9 27.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.28 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.7 mtmt -59.8 -56.21 24.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 109.327 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.479 ' CG2' ' O ' ' A' ' 44' ' ' GLU . 76.3 t -50.73 -44.7 26.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.112 . . . . 0.0 109.32 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.51 ' HB3' ' CE2' ' A' ' 53' ' ' TYR . . . -44.54 -57.91 3.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.328 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 5.0 mtt -46.26 -23.85 0.4 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 111.033 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -97.82 -54.49 3.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.093 . . . . 0.0 110.346 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.532 ' HB3' ' CD1' ' A' ' 53' ' ' TYR . 1.1 m-20 -48.88 -40.06 28.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.113 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.565 ' N ' ' CD1' ' A' ' 53' ' ' TYR . 1.3 m-30 -103.21 28.17 6.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 111.038 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.457 ' C ' ' O ' ' A' ' 53' ' ' TYR . 0.5 OUTLIER -36.33 -40.4 0.23 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.262 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -106.47 77.12 1.18 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 109.314 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.49 ' HB2' ' CB ' ' A' ' 59' ' ' PHE . 0.2 OUTLIER -104.09 119.65 53.55 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.098 . . . . 0.0 109.284 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -58.74 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.486 1.782 . . . . 0.0 111.015 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -99.54 -14.77 18.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 0.0 109.26 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.57 ' CD1' ' CE1' ' A' ' 61' ' ' PHE . 0.2 OUTLIER -87.91 29.72 0.9 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 111.004 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.407 ' CG2' ' O ' ' A' ' 56' ' ' ASN . 74.4 p -77.48 -16.92 58.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.575 1.172 . . . . 0.0 110.406 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.57 ' CE1' ' CD1' ' A' ' 59' ' ' PHE . 46.7 p90 -57.34 -22.66 43.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.145 . . . . 0.0 110.965 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.466 HD21 ' CD1' ' A' ' 34' ' ' LEU . 8.0 mt -55.24 -65.35 0.6 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 10.3 m-70 -53.03 -70.62 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.565 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.403 ' O ' ' O ' ' A' ' 61' ' ' PHE . 1.0 OUTLIER -59.28 110.45 1.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.285 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.568 ' HG3' ' CZ ' ' A' ' 70' ' ' PHE . 0.0 OUTLIER -67.8 -66.76 0.52 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 109.295 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -70.15 67.37 0.3 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.12 . . . . 0.0 109.335 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.408 ' N ' ' O ' ' A' ' 65' ' ' LYS . 30.4 t -110.11 -86.01 0.54 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.989 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.478 ' HG2' ' N ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER 174.21 -30.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.332 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.523 ' HB3' ' CG ' ' A' ' 61' ' ' PHE . 0.5 OUTLIER -91.79 -12.26 34.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 110.285 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.568 ' CZ ' ' HG3' ' A' ' 65' ' ' LYS . 47.9 t80 -91.57 -22.2 20.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 111.013 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.477 ' N ' ' CD1' ' A' ' 71' ' ' LEU . 2.9 mp -74.16 -53.38 9.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 109.258 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.447 ' N ' HG21 ' A' ' 19' ' ' VAL . 64.2 t80 -63.72 -36.53 84.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 111.012 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.465 ' HA ' ' CG2' ' A' ' 31' ' ' ILE . 7.8 t80 -50.92 -62.35 1.67 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 110.942 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.56 -40.59 62.74 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.119 . . . . 0.0 110.265 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 48.6 mmt-85 -58.34 -61.91 2.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.305 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.445 ' O ' ' N ' ' A' ' 79' ' ' GLU . 3.1 mmtt -59.44 -37.33 77.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.471 HG22 ' CB ' ' A' ' 35' ' ' ALA . 2.7 t -48.7 -38.99 10.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.277 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -68.13 -31.95 71.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 76' ' ' LYS . 14.2 tp10 -70.8 -58.51 3.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.345 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.468 ' CD1' ' HB2' ' A' ' 39' ' ' ALA . 0.0 OUTLIER -59.72 -40.18 81.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 109.328 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 7.1 mmm-85 -43.0 -61.46 1.29 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.288 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.437 ' HA ' ' CD2' ' A' ' 11' ' ' TYR . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.463 ' O ' ' N ' ' A' ' 13' ' ' GLN . 5.2 m-20 -40.58 -34.05 0.33 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 109.317 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.57 ' CE1' ' HB3' ' A' ' 12' ' ' GLU . 1.9 p90 -42.67 -24.31 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.972 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.57 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 2.6 pt-20 -106.08 -27.13 11.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.1 . . . . 0.0 110.312 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.463 ' N ' ' O ' ' A' ' 10' ' ' ASP . 3.7 pt20 -64.58 -16.91 63.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 110.314 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 26.1 m95 -85.52 -32.7 22.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 108.023 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -55.44 -19.31 8.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.153 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -68.32 -36.94 80.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.115 . . . . 0.0 110.307 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -109.65 95.05 3.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.28 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.0 mmtm -68.15 -179.68 1.32 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.447 HG22 ' N ' ' A' ' 72' ' ' TYR . 56.0 t -109.0 140.32 28.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.332 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.478 ' CB ' ' HA ' ' A' ' 21' ' ' PRO . 0.6 OUTLIER -97.49 160.36 28.95 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.426 1.079 . . . . 0.0 109.991 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.478 ' HA ' ' CB ' ' A' ' 20' ' ' SER . 18.2 Cg_endo -75.04 174.49 52.42 Favored 'Cis proline' 0 C--N 1.36 1.163 0 C-N-CA 121.0 -2.5 . . . . 0.0 111.006 0.022 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 4.18 4.95 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.514 1.797 . . . . 0.0 110.972 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -73.53 -37.85 65.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.277 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.418 ' O ' ' N ' ' A' ' 27' ' ' THR . . . -55.98 -16.8 14.08 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.485 1.116 . . . . 0.0 110.991 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -44.22 -51.4 8.26 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 0.757 . . . . 0.0 109.33 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -69.25 -28.6 66.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 110.309 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.418 ' N ' ' O ' ' A' ' 24' ' ' GLY . 88.3 m -75.39 -14.91 60.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.389 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.44 ' O ' ' N ' ' A' ' 32' ' ' GLU . 0.0 OUTLIER -48.02 -33.73 8.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 110.304 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.45 -28.91 69.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.556 1.16 . . . . 0.0 110.318 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 95.9 t -94.46 -28.17 4.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.44 1.087 . . . . 0.0 109.285 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.425 ' O ' ' N ' ' A' ' 34' ' ' LEU . 30.6 mt -79.02 -65.74 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -40.79 -37.59 0.79 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.323 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.8 mmmt -56.38 -49.66 73.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 109.273 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.425 ' N ' ' O ' ' A' ' 31' ' ' ILE . 33.4 tp -60.03 -19.79 54.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.474 ' CB ' HG21 ' A' ' 77' ' ' VAL . . . -89.34 -57.02 3.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.273 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.471 ' O ' ' CG ' ' A' ' 40' ' ' GLU . 18.9 ttt-85 -56.92 -18.88 15.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 110.267 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 53.0 t80 -92.96 -42.64 9.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 111.011 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.415 ' O ' ' C ' ' A' ' 39' ' ' ALA . 6.8 t -73.84 -73.61 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.285 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.435 ' HB1' ' CD1' ' A' ' 80' ' ' ILE . . . -39.2 -32.74 0.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.471 ' CG ' ' O ' ' A' ' 36' ' ' ARG . 3.8 mm-40 -57.52 -66.33 0.48 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.44 1.087 . . . . 0.0 110.269 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -75.91 -61.11 2.96 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.452 1.095 . . . . 0.0 111.03 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 152.56 -145.05 12.24 Favored Glycine 0 CA--C 1.53 0.986 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.476 ' O ' ' N ' ' A' ' 46' ' ' GLU . 18.1 Cg_endo -75.04 -36.09 2.73 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.505 1.792 . . . . 0.0 110.972 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -50.2 -31.55 14.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 110.303 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.571 ' N ' ' CD2' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -72.57 -27.03 61.94 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 0.0 109.293 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.476 ' N ' ' O ' ' A' ' 43' ' ' PRO . 61.7 tt0 -80.01 -25.52 40.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 0.0 110.272 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.534 ' N ' ' CD ' ' A' ' 47' ' ' LYS . 0.1 OUTLIER -82.71 -29.65 29.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 109.277 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 41.0 t -83.01 -36.28 12.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.095 . . . . 0.0 109.335 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.82 -43.01 90.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.434 1.084 . . . . 0.0 109.275 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.33 -20.53 55.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 110.961 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -97.78 -50.37 4.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.275 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -48.5 -46.32 38.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.497 ' CD2' ' CD2' ' A' ' 59' ' ' PHE . 2.5 m-85 -104.17 28.64 6.62 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.143 . . . . 0.0 111.051 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -46.43 -44.99 17.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -120.62 82.01 1.85 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.318 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -135.07 119.59 13.57 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.523 1.14 . . . . 0.0 109.268 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.441 ' HA ' ' CG2' ' A' ' 60' ' ' THR . 18.4 Cg_endo -74.98 -4.06 14.85 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.503 1.791 . . . . 0.0 111.033 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -100.04 -49.44 4.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 0.0 109.283 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.53 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 2.1 m-85 -86.88 32.29 0.67 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.101 . . . . 0.0 111.006 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.441 ' CG2' ' HA ' ' A' ' 57' ' ' PRO . 59.6 p -64.14 -11.93 35.06 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.129 . . . . 0.0 110.369 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.53 ' CE1' ' HA ' ' A' ' 59' ' ' PHE . 45.2 p90 -73.3 -27.8 61.74 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 110.97 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.414 ' C ' ' O ' ' A' ' 61' ' ' PHE . 0.6 OUTLIER -39.65 -70.6 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -74.49 58.6 0.77 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.133 . . . . 0.0 109.58 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -165.13 107.22 0.81 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.344 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.575 ' HA ' ' CD2' ' A' ' 70' ' ' PHE . 3.7 mtpt -101.01 36.99 1.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 109.26 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 28.2 m-80 -173.15 47.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 13.5 t -111.49 -83.85 0.57 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.987 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.462 ' HG2' ' N ' ' A' ' 69' ' ' GLU . 0.1 OUTLIER 174.46 -30.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 110.356 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.526 ' HB3' ' CG ' ' A' ' 61' ' ' PHE . 1.0 OUTLIER -87.61 -15.55 37.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 110.323 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.575 ' CD2' ' HA ' ' A' ' 65' ' ' LYS . 78.1 t80 -93.17 -31.6 14.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 110.98 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.495 ' N ' ' CD1' ' A' ' 71' ' ' LEU . 2.8 mp -71.82 -51.82 20.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.447 ' N ' HG22 ' A' ' 19' ' ' VAL . 53.1 t80 -60.18 -33.78 72.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 111.01 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.56 ' CE1' HG22 ' A' ' 77' ' ' VAL . 0.4 OUTLIER -64.24 -55.3 22.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 111.002 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -59.39 -25.41 64.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 110.354 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -66.48 -78.87 0.05 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.559 1.162 . . . . 0.0 110.317 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -44.32 -34.09 1.83 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.091 . . . . 0.0 109.305 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.56 HG22 ' CE1' ' A' ' 73' ' ' TYR . 2.2 t -46.39 -42.87 5.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.58 -35.85 80.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.46 1.1 . . . . 0.0 109.293 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 76' ' ' LYS . 5.8 tp10 -68.84 -58.79 3.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 110.314 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.448 ' C ' ' CD1' ' A' ' 80' ' ' ILE . 0.0 OUTLIER -60.61 -39.87 82.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.27 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.405 ' HG2' ' CB ' ' A' ' 39' ' ' ALA . 4.4 mmm180 -46.08 -60.76 2.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 110.269 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.552 ' CD ' ' CD2' ' A' ' 11' ' ' TYR . 1.0 OUTLIER . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.473 ' O ' ' N ' ' A' ' 13' ' ' GLN . 15.7 m-20 -50.98 -30.67 15.66 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.532 1.145 . . . . 0.0 109.284 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.516 ' CE1' ' HB2' ' A' ' 12' ' ' GLU . 2.6 p90 -40.76 -25.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.57 1.169 . . . . 0.0 110.999 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.516 ' HB2' ' CE1' ' A' ' 11' ' ' TYR . 19.5 tt0 -106.94 -27.22 10.82 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.116 . . . . 0.0 110.32 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.473 ' N ' ' O ' ' A' ' 10' ' ' ASP . 4.2 pt20 -63.5 -11.81 26.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 110.284 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 21.7 m95 -88.63 -18.51 27.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 107.985 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.499 HD13 ' CD ' ' A' ' 76' ' ' LYS . 1.1 tp -72.98 -30.29 63.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -53.6 -37.06 62.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.269 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -100.34 94.8 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.6 157.44 32.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.436 ' CG2' ' HG3' ' A' ' 75' ' ' ARG . 54.4 t -87.17 116.36 29.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.329 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.481 ' HA ' ' C ' ' A' ' 21' ' ' PRO . 5.1 p -72.51 150.73 91.5 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.101 . . . . 0.0 109.992 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.481 ' C ' ' HA ' ' A' ' 20' ' ' SER . 18.3 Cg_endo -75.0 174.37 53.04 Favored 'Cis proline' 0 C--N 1.36 1.135 0 C-N-CA 121.01 -2.496 . . . . 0.0 110.983 0.028 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 4.39 4.79 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.526 1.803 . . . . 0.0 110.962 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -69.21 -31.57 70.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 110.291 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -58.12 -15.4 21.83 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.493 1.121 . . . . 0.0 111.017 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -41.96 -35.87 0.97 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 0.756 . . . . 0.0 109.307 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.401 ' C ' ' N ' ' A' ' 28' ' ' ARG . 1.2 tp10 -78.96 -62.39 1.71 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 110.295 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.472 HG23 ' CG1' ' A' ' 30' ' ' VAL . 7.0 m -44.75 -25.62 0.31 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 110.429 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.444 ' C ' ' CD ' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -47.23 -26.44 1.19 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 110.291 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.4 mtt180 -75.12 -35.19 61.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.437 1.086 . . . . 0.0 110.299 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.472 ' CG1' HG23 ' A' ' 27' ' ' THR . 5.3 p -86.85 -21.53 7.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.43 HD13 ' CG ' ' A' ' 69' ' ' GLU . 25.7 mt -77.77 -55.68 9.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.486 ' O ' ' CB ' ' A' ' 36' ' ' ARG . 72.2 mt-10 -43.77 -26.1 0.23 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 110.288 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.7 mmtp -66.77 -48.67 68.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.457 ' CD2' HG23 ' A' ' 38' ' ' VAL . 1.5 tt -55.29 -51.63 66.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.464 ' CB ' HG21 ' A' ' 77' ' ' VAL . . . -67.51 -58.85 3.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 109.299 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.486 ' CB ' ' O ' ' A' ' 32' ' ' GLU . 33.6 ttm180 -46.74 -26.29 0.91 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.335 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 38.1 t80 -93.82 -26.31 16.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.978 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.457 HG23 ' CD2' ' A' ' 34' ' ' LEU . 3.4 t -87.86 -74.9 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.107 . . . . 0.0 109.267 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.449 ' HB2' ' CD1' ' A' ' 80' ' ' ILE . . . -41.21 -28.49 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.439 ' N ' ' C ' ' A' ' 38' ' ' VAL . 1.1 tt0 -66.94 -57.01 7.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 110.281 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -84.97 -59.18 2.0 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.477 1.111 . . . . 0.0 110.994 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 38' ' ' VAL . . . 147.76 -146.95 17.21 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 111.049 -0.821 . . . . 0.0 111.049 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -33.77 4.31 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.487 1.783 . . . . 0.0 110.961 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -50.15 -32.14 15.34 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.473 1.108 . . . . 0.0 110.34 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.525 ' N ' ' CD2' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -73.17 -58.89 2.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.298 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -44.21 -26.35 0.31 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 110.353 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.13 -45.14 15.56 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.427 ' N ' ' O ' ' A' ' 45' ' ' LEU . 52.2 t -67.87 -38.34 79.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.06 -49.57 75.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.09 . . . . 0.0 109.301 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.23 -23.58 3.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 111.028 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -99.15 -51.73 3.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.318 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.55 ' HB3' ' CD1' ' A' ' 53' ' ' TYR . 4.2 t0 -43.54 -47.73 7.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.296 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.55 ' CD1' ' HB3' ' A' ' 52' ' ' ASP . 0.9 OUTLIER -100.4 27.78 5.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.972 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -49.08 -37.01 19.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.321 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -116.34 81.19 1.57 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.265 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.406 ' O ' ' CG2' ' A' ' 60' ' ' THR . 0.8 OUTLIER -135.05 119.36 13.48 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.118 . . . . 0.0 109.351 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -17.67 19.34 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.505 1.792 . . . . 0.0 110.968 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -96.95 -45.79 6.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.307 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.486 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 0.7 OUTLIER -85.54 36.63 0.66 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.992 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.406 ' CG2' ' O ' ' A' ' 56' ' ' ASN . 67.4 p -71.55 -11.86 61.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 110.38 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.527 ' CG ' ' HB3' ' A' ' 69' ' ' GLU . 45.5 p90 -71.43 -23.12 61.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 110.979 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -43.93 -71.27 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 109.303 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 -47.1 -60.87 2.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.612 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -54.28 157.34 2.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 109.325 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.566 ' HA ' ' CD2' ' A' ' 70' ' ' PHE . 32.0 mttt -141.06 55.92 1.56 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -174.23 37.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 5.9 t -116.16 158.96 22.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 109.979 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.94 -15.66 63.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.3 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.527 ' HB3' ' CG ' ' A' ' 61' ' ' PHE . 4.4 tt0 -87.8 -45.6 10.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.286 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.566 ' CD2' ' HA ' ' A' ' 65' ' ' LYS . 73.0 t80 -71.61 -21.63 61.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 111.026 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 46.1 mt -83.12 -62.81 1.49 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.28 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.421 ' N ' HG23 ' A' ' 19' ' ' VAL . 55.1 t80 -49.57 -28.11 5.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 110.98 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.574 ' CD1' ' C ' ' A' ' 73' ' ' TYR . 0.2 OUTLIER -58.89 -54.46 46.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 111.046 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 5.0 mtm180 -68.26 -32.33 72.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.431 1.082 . . . . 0.0 110.266 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.436 ' HG3' ' CG2' ' A' ' 19' ' ' VAL . 23.7 mmt85 -61.27 -44.27 97.51 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.133 . . . . 0.0 110.296 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.499 ' CD ' HD13 ' A' ' 15' ' ' LEU . 5.2 mmmt -77.3 -32.15 55.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.574 HG22 ' CE1' ' A' ' 73' ' ' TYR . 2.7 t -47.67 -39.66 7.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -66.12 -34.05 77.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 76' ' ' LYS . 23.4 tp10 -69.41 -56.8 6.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 110.315 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.449 ' CD1' ' HB2' ' A' ' 39' ' ' ALA . 0.0 OUTLIER -64.56 -39.85 87.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 109.287 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.462 ' CG ' ' O ' ' A' ' 77' ' ' VAL . 2.8 mmm180 -43.55 -58.59 2.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 110.306 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.46 ' HG3' ' CE2' ' A' ' 11' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.549 ' HA ' ' CD2' ' A' ' 11' ' ' TYR . 2.8 mt-10 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.256 -0.275 . . . . 0.0 110.256 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.466 ' O ' ' N ' ' A' ' 13' ' ' GLN . 16.6 m-20 -52.98 -20.4 3.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.585 ' CE1' ' HB3' ' A' ' 12' ' ' GLU . 4.2 p90 -48.01 -27.34 2.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 111.04 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.585 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 0.1 OUTLIER -89.36 -24.37 21.99 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.443 1.089 . . . . 0.0 110.259 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.466 ' N ' ' O ' ' A' ' 10' ' ' ASP . 1.2 pp0? -58.36 -16.31 14.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.353 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.406 ' HA ' ' CD1' ' A' ' 17' ' ' ILE . 25.0 m95 -74.79 -20.74 59.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 108.001 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.459 HD13 ' CG ' ' A' ' 79' ' ' GLU . 11.1 mt -70.15 -39.07 75.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -47.22 -36.82 9.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 110.312 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.406 ' CD1' ' HA ' ' A' ' 14' ' ' TRP . 0.4 OUTLIER -113.47 94.9 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.277 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.03 -177.14 0.6 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.486 ' CG2' ' HB2' ' A' ' 72' ' ' TYR . 2.7 m -97.42 164.08 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.133 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.47 ' HA ' ' C ' ' A' ' 21' ' ' PRO . 3.6 m -123.96 156.73 65.33 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.979 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.47 ' C ' ' HA ' ' A' ' 20' ' ' SER . 18.5 Cg_endo -74.9 174.43 52.62 Favored 'Cis proline' 0 C--N 1.359 1.127 0 C-N-CA 121.013 -2.494 . . . . 0.0 111.052 -0.116 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 4.21 4.94 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.51 1.795 . . . . 0.0 110.989 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.02 -20.65 59.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 110.278 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.414 ' O ' ' N ' ' A' ' 27' ' ' THR . . . -65.38 -14.2 59.43 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.495 1.122 . . . . 0.0 111.019 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -43.4 -48.12 7.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 0.772 . . . . 0.0 109.292 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -45.98 -39.15 8.58 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.108 . . . . 0.0 110.365 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.448 ' O ' ' N ' ' A' ' 30' ' ' VAL . 98.3 m -93.17 -28.33 16.36 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.475 1.109 . . . . 0.0 110.446 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.552 ' HG2' ' CE2' ' A' ' 72' ' ' TYR . 1.1 tmm_? -41.48 -51.16 3.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 110.337 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.42 ' N ' ' HD2' ' A' ' 28' ' ' ARG . 6.0 mtt180 -60.02 -37.15 78.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.304 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.448 ' N ' ' O ' ' A' ' 27' ' ' THR . 53.4 t -71.61 -51.43 32.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.458 ' O ' ' N ' ' A' ' 34' ' ' LEU . 21.2 mt -53.01 -42.98 46.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -41.56 -43.59 2.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.292 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.1 mmmm -72.17 -39.45 68.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.458 ' N ' ' O ' ' A' ' 31' ' ' ILE . 45.3 tp -57.07 -64.9 0.72 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.272 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.46 ' CB ' HG23 ' A' ' 77' ' ' VAL . . . -55.48 -46.43 76.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.341 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.3 ttp180 -56.99 -37.74 72.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.55 1.156 . . . . 0.0 110.301 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.682 ' CZ ' ' CD1' ' A' ' 45' ' ' LEU . 21.5 t80 -78.4 -39.37 39.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 110.975 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.428 ' C ' ' N ' ' A' ' 40' ' ' GLU . 23.1 t -64.29 -75.84 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 109.272 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.437 ' HB3' ' CD1' ' A' ' 80' ' ' ILE . . . -40.99 -29.32 0.1 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.125 . . . . 0.0 109.299 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.428 ' N ' ' C ' ' A' ' 38' ' ' VAL . 2.1 mm-40 -62.04 -65.13 0.74 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.278 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -81.48 -62.8 1.92 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.522 1.139 . . . . 0.0 110.948 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 154.19 -144.58 11.38 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -34.11 4.06 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.519 1.799 . . . . 0.0 110.955 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -51.71 -30.49 22.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 110.338 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.682 ' CD1' ' CZ ' ' A' ' 37' ' ' PHE . 0.1 OUTLIER -73.65 -55.72 5.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.317 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.08 -37.2 6.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.307 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.8 mttt -70.16 -56.29 7.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 109.342 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 53.5 t -54.76 -38.85 45.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -49.42 -51.33 36.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 14.0 mtt -57.01 -18.29 13.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.122 . . . . 0.0 110.962 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -93.63 -38.27 11.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.291 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.407 ' HB3' ' CE1' ' A' ' 53' ' ' TYR . 1.1 m-20 -63.66 -31.63 72.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.302 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.758 ' CD2' ' CD2' ' A' ' 59' ' ' PHE . 2.4 m-85 -121.95 31.36 6.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.987 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.14 -37.94 56.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -121.24 69.23 0.9 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.529 1.143 . . . . 0.0 109.265 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.423 ' ND2' ' HA ' ' A' ' 53' ' ' TYR . 2.4 m-80 -135.29 119.87 13.49 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.47 ' HA ' ' CG2' ' A' ' 60' ' ' THR . 18.4 Cg_endo -74.98 -3.3 13.72 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.482 1.78 . . . . 0.0 110.99 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -99.41 -36.73 9.48 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.451 1.094 . . . . 0.0 109.31 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.758 ' CD2' ' CD2' ' A' ' 53' ' ' TYR . 1.2 m-85 -93.53 29.35 2.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 110.985 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.47 ' CG2' ' HA ' ' A' ' 57' ' ' PRO . 66.0 p -69.33 -13.27 62.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.446 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.606 ' CE1' ' CD2' ' A' ' 59' ' ' PHE . 42.8 p90 -68.55 -41.87 79.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.99 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.485 ' N ' ' CG ' ' A' ' 61' ' ' PHE . 11.5 mt -40.12 -71.28 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.145 . . . . 0.0 109.301 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 20.8 m-70 -41.74 -57.27 2.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.63 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.77 129.2 40.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.479 ' O ' ' CD1' ' A' ' 70' ' ' PHE . 4.3 mmtt -90.16 -66.83 0.89 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.431 1.082 . . . . 0.0 109.33 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -99.13 84.41 3.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.263 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 9.8 t -123.61 -71.44 0.72 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 110.03 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.472 ' HG2' ' N ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER 174.42 -30.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.323 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.472 ' N ' ' HG2' ' A' ' 68' ' ' ARG . 0.1 OUTLIER -89.8 -46.97 8.21 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.456 1.098 . . . . 0.0 110.3 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.479 ' CD1' ' O ' ' A' ' 65' ' ' LYS . 29.7 t80 -55.99 -16.46 4.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 0.0 110.972 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 15.9 mt -79.1 -55.85 4.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.153 . . . . 0.0 109.286 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.552 ' CE2' ' HG2' ' A' ' 28' ' ' ARG . 15.0 t80 -56.35 -43.19 78.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.995 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.499 ' O ' ' CG2' ' A' ' 77' ' ' VAL . 1.7 t80 -44.11 -30.84 0.81 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 111.014 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.408 ' CD ' ' O ' ' A' ' 70' ' ' PHE . 0.0 OUTLIER -93.69 -31.27 14.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.328 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.403 ' N ' ' O ' ' A' ' 72' ' ' TYR . 24.2 mmt180 -58.14 -36.22 72.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 110.264 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.474 ' O ' ' N ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -86.33 -35.75 19.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.501 ' O ' ' CG ' ' A' ' 81' ' ' ARG . 2.6 t -41.29 -40.47 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.6 -46.75 81.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.091 . . . . 0.0 109.286 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.474 ' N ' ' O ' ' A' ' 76' ' ' LYS . 22.1 tp10 -56.63 -60.75 3.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 110.312 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.437 ' CD1' ' HB3' ' A' ' 39' ' ' ALA . 0.0 OUTLIER -61.27 -41.55 90.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.501 ' CG ' ' O ' ' A' ' 77' ' ' VAL . 3.1 mmm180 -40.82 -61.69 0.92 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.304 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.57 ' HD3' ' CD2' ' A' ' 11' ' ' TYR . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.276 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 110.27 -0.271 . . . . 0.0 110.27 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.5 ' O ' ' N ' ' A' ' 13' ' ' GLN . 7.6 p-10 -41.94 -53.51 3.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.615 ' C ' ' CD1' ' A' ' 11' ' ' TYR . 0.2 OUTLIER -37.77 -30.45 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.482 1.114 . . . . 0.0 111.0 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.569 ' HB2' ' CE1' ' A' ' 11' ' ' TYR . 15.9 tt0 -103.93 -29.05 11.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.22 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.5 ' N ' ' O ' ' A' ' 10' ' ' ASP . 1.5 pt20 -66.22 -17.6 64.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 110.294 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.475 ' HA ' ' CD1' ' A' ' 17' ' ' ILE . 28.4 m95 -85.48 -31.7 22.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 108.028 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.459 ' CD2' ' HB2' ' A' ' 79' ' ' GLU . 0.7 OUTLIER -56.38 -30.9 63.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -57.36 -32.74 67.07 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 110.296 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.475 ' CD1' ' HA ' ' A' ' 14' ' ' TRP . 0.1 OUTLIER -109.01 102.55 14.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 27.4 mmtm -84.12 166.27 17.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.461 ' CG2' ' HA ' ' A' ' 72' ' ' TYR . 65.1 t -89.33 137.91 20.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 109.28 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.47 ' HA ' ' C ' ' A' ' 21' ' ' PRO . 0.1 OUTLIER -92.58 155.72 41.83 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.48 1.113 . . . . 0.0 109.966 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.47 ' C ' ' HA ' ' A' ' 20' ' ' SER . 18.3 Cg_endo -74.97 174.46 52.56 Favored 'Cis proline' 0 C--N 1.361 1.197 0 C-N-CA 121.014 -2.494 . . . . 0.0 111.002 -0.023 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 4.05 5.06 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.517 1.798 . . . . 0.0 111.026 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.92 -25.28 63.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 110.318 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.01 -12.76 38.02 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.48 1.112 . . . . 0.0 111.003 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -40.79 -42.94 1.9 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 0.747 . . . . 0.0 109.287 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -76.16 -57.0 4.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 110.303 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.459 ' O ' ' N ' ' A' ' 30' ' ' VAL . 17.5 m -46.84 -25.46 0.76 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.388 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.17 -23.01 1.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.095 . . . . 0.0 110.263 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 86.2 mtt-85 -74.42 -31.36 62.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 110.296 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.459 ' N ' ' O ' ' A' ' 27' ' ' THR . 6.1 p -92.86 -14.49 8.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.449 1.093 . . . . 0.0 109.326 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.568 HD13 ' CD2' ' A' ' 72' ' ' TYR . 65.0 mt -87.24 -53.22 10.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.153 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -51.46 -32.34 26.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.287 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 36.6 tptt -60.06 -49.02 79.3 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.499 1.125 . . . . 0.0 109.29 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.503 ' CD1' ' CD2' ' A' ' 62' ' ' LEU . 0.6 OUTLIER -56.49 -54.24 48.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.459 ' CB ' HG22 ' A' ' 77' ' ' VAL . . . -59.56 -58.56 8.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.402 ' O ' ' HB3' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -49.84 -22.15 1.37 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 110.28 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -94.47 -29.65 14.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 111.037 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.442 ' C ' ' N ' ' A' ' 40' ' ' GLU . 5.5 t -85.73 -75.77 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.27 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.458 ' HB1' ' CD1' ' A' ' 80' ' ' ILE . . . -39.67 -29.91 0.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.536 1.147 . . . . 0.0 109.263 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.442 ' N ' ' C ' ' A' ' 38' ' ' VAL . 2.1 tt0 -65.07 -67.02 0.47 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 110.251 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -76.7 -69.48 1.39 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.489 1.118 . . . . 0.0 110.989 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 164.28 -147.27 12.5 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.459 ' O ' ' N ' ' A' ' 46' ' ' GLU . 18.3 Cg_endo -74.95 -40.44 0.92 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.478 1.778 . . . . 0.0 111.029 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -47.13 -30.66 2.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 110.294 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.55 ' N ' ' CD2' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -70.47 -36.68 74.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.268 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 43' ' ' PRO . 2.1 tm-20 -70.75 -26.84 63.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.328 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.562 ' N ' ' CD ' ' A' ' 47' ' ' LYS . 0.1 OUTLIER -81.16 -45.52 16.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.332 179.944 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 25.3 t -65.36 -48.57 82.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -48.61 -53.15 19.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.27 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 3.1 mtt -55.68 -18.09 7.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 110.972 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -96.41 -38.0 10.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 110.313 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -70.58 -38.29 74.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.333 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.473 ' CD2' ' CD1' ' A' ' 59' ' ' PHE . 8.7 m-30 -96.18 16.04 19.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.989 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.3 tttm -68.37 -10.29 54.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 109.318 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -108.22 -27.8 9.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 45.7 m-80 -82.88 120.44 76.25 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.461 1.101 . . . . 0.0 109.266 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.5 ' O ' ' CG2' ' A' ' 60' ' ' THR . 18.3 Cg_endo -75.07 -36.86 2.26 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.447 1.762 . . . . 0.0 110.988 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -50.38 -29.79 10.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.438 1.086 . . . . 0.0 109.316 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.618 ' CD1' ' CE2' ' A' ' 61' ' ' PHE . 0.8 OUTLIER -105.43 23.58 13.54 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.439 1.087 . . . . 0.0 110.996 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.5 ' CG2' ' O ' ' A' ' 57' ' ' PRO . 10.2 t -71.17 -12.82 61.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 110.423 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.618 ' CE2' ' CD1' ' A' ' 59' ' ' PHE . 48.2 p90 -60.65 -34.69 74.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.98 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.503 ' CD2' ' CD1' ' A' ' 34' ' ' LEU . 32.3 mt -40.2 -55.2 2.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 109.256 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -80.85 58.63 3.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 109.582 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 178.14 116.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.474 ' HG3' ' CE1' ' A' ' 70' ' ' PHE . 0.0 OUTLIER -98.9 48.05 0.97 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 20.1 m-80 -174.09 36.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.556 ' O ' ' CB ' ' A' ' 68' ' ' ARG . 14.7 t -101.07 -5.43 25.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.021 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.556 ' CB ' ' O ' ' A' ' 67' ' ' SER . 1.1 ptt180 88.8 -22.09 0.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.309 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.433 ' N ' ' HG2' ' A' ' 68' ' ' ARG . 1.9 tt0 -89.52 -61.46 1.69 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 110.273 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.474 ' CE1' ' HG3' ' A' ' 65' ' ' LYS . 48.8 t80 -45.09 -34.02 2.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 111.021 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.439 ' CD2' ' N ' ' A' ' 71' ' ' LEU . 1.6 mm? -69.41 -50.35 46.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.442 1.089 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.568 ' CD2' HD13 ' A' ' 31' ' ' ILE . 77.3 t80 -60.51 -32.14 71.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 111.027 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.432 ' HB2' ' CG2' ' A' ' 31' ' ' ILE . 1.1 t80 -71.64 -46.15 59.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 110.991 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.79 -32.27 65.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 110.338 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.446 ' NH1' ' O ' ' A' ' 17' ' ' ILE . 67.8 mtt180 -71.97 -70.21 0.35 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 110.271 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.437 ' O ' ' N ' ' A' ' 79' ' ' GLU . 19.4 mmtt -44.64 -34.12 2.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.459 HG22 ' CB ' ' A' ' 35' ' ' ALA . 2.4 t -49.68 -36.87 11.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -68.26 -31.88 71.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.572 1.17 . . . . 0.0 109.291 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.459 ' HB2' ' CD2' ' A' ' 15' ' ' LEU . 32.4 tp10 -71.56 -55.58 7.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 110.251 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.458 ' CD1' ' HB1' ' A' ' 39' ' ' ALA . 0.0 OUTLIER -64.2 -39.96 87.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.545 1.153 . . . . 0.0 109.268 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.451 ' HG2' ' CB ' ' A' ' 39' ' ' ALA . 4.4 mmm180 -43.55 -62.86 0.96 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 110.245 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.565 ' HG3' ' CE2' ' A' ' 11' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.433 ' HA ' ' CD2' ' A' ' 11' ' ' TYR . 8.3 tt0 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.267 -0.271 . . . . 0.0 110.267 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.457 ' O ' ' N ' ' A' ' 13' ' ' GLN . 2.1 m-20 -47.19 -25.83 1.01 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.525 ' C ' ' CD1' ' A' ' 11' ' ' TYR . 2.3 p90 -48.47 -25.31 1.6 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 111.022 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.403 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 6.5 pt-20 -94.82 -22.6 17.94 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.117 . . . . 0.0 110.298 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.457 ' N ' ' O ' ' A' ' 10' ' ' ASP . 0.1 OUTLIER -61.9 -13.06 21.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 110.321 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.43 ' HA ' ' CD1' ' A' ' 17' ' ' ILE . 31.8 m95 -84.29 -49.12 9.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 107.997 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.471 ' HA ' ' NH2' ' A' ' 75' ' ' ARG . 0.4 OUTLIER -44.84 -26.79 0.44 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.095 . . . . 0.0 109.315 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.423 ' N ' ' C ' ' A' ' 14' ' ' TRP . 17.7 mt-10 -59.2 -37.66 77.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.29 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.459 ' O ' ' NH2' ' A' ' 75' ' ' ARG . 0.1 OUTLIER -112.99 96.18 4.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.444 ' HA ' ' NH2' ' A' ' 75' ' ' ARG . 6.4 mmtp -64.64 173.15 2.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.465 ' CG1' ' O ' ' A' ' 68' ' ' ARG . 60.7 t -87.39 139.97 16.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.14 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.455 ' HA ' ' C ' ' A' ' 21' ' ' PRO . 0.0 OUTLIER -109.0 157.64 36.42 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.987 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.455 ' C ' ' HA ' ' A' ' 20' ' ' SER . 18.1 Cg_endo -75.04 174.44 52.72 Favored 'Cis proline' 0 C--N 1.361 1.205 0 C-N-CA 121.002 -2.499 . . . . 0.0 110.961 0.069 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 4.25 4.9 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.497 1.788 . . . . 0.0 111.015 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -72.19 -22.23 61.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 110.339 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 25' ' ' ALA . . . -69.95 -12.97 68.95 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.45 1.094 . . . . 0.0 110.968 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 24' ' ' GLY . . . -40.21 -36.22 0.49 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 0.757 . . . . 0.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -55.57 -58.81 6.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.3 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.473 ' CG2' ' CG1' ' A' ' 30' ' ' VAL . 31.5 m -73.46 -29.0 62.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 110.373 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.565 ' HG2' ' CE2' ' A' ' 72' ' ' TYR . 3.0 tmm_? -41.45 -27.93 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 110.304 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.42 ' N ' ' C ' ' A' ' 27' ' ' THR . 72.0 mtt180 -74.02 -52.78 11.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 110.267 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.473 ' CG1' ' CG2' ' A' ' 27' ' ' THR . 9.5 p -60.71 -29.01 44.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.543 HG21 ' CD2' ' A' ' 72' ' ' TYR . 66.8 mt -70.91 -44.26 76.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.567 1.167 . . . . 0.0 109.268 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -45.47 -29.72 1.2 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 110.335 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -90.64 -33.39 15.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.451 ' O ' ' CG2' ' A' ' 38' ' ' VAL . 19.2 tp -66.36 -49.77 65.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.147 . . . . 0.0 109.278 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.478 ' CB ' HG21 ' A' ' 77' ' ' VAL . . . -65.62 -30.56 71.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 16.4 ttm180 -78.14 -68.24 0.65 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 110.267 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.514 ' CG ' HD11 ' A' ' 45' ' ' LEU . 4.4 t80 -45.72 -24.52 0.37 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 110.929 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.451 ' CG2' ' O ' ' A' ' 34' ' ' LEU . 18.1 t -83.02 -75.68 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.261 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.429 ' HB1' ' CD1' ' A' ' 80' ' ' ILE . . . -45.86 -25.72 0.57 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.348 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.407 ' N ' ' C ' ' A' ' 38' ' ' VAL . 4.9 tp10 -67.97 -55.19 13.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.552 1.157 . . . . 0.0 110.288 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -92.1 -61.7 1.19 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.444 1.09 . . . . 0.0 110.986 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 38' ' ' VAL . . . 152.59 -145.92 13.98 Favored Glycine 0 CA--C 1.531 1.04 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -32.29 5.49 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.47 1.774 . . . . 0.0 111.016 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -50.64 -33.25 21.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 110.29 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.574 ' N ' ' CD2' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -75.58 -44.0 45.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 51.1 tt0 -56.21 -38.7 71.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 0.0 110.3 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.3 mtmt -70.54 -58.89 3.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 75.7 t -49.85 -42.66 18.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -47.7 -59.92 2.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.57 1.168 . . . . 0.0 109.333 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 9.5 mtt -47.59 -25.54 1.18 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 111.003 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -88.61 -36.96 16.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.307 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -64.37 -39.68 94.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 109.314 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.78 ' CD2' ' CE1' ' A' ' 59' ' ' PHE . 2.0 m-85 -109.89 26.09 11.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 111.006 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.12 -40.13 45.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.327 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 39.7 t0 -118.04 64.74 0.75 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -134.15 119.81 14.7 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 109.267 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.47 ' HA ' ' CG2' ' A' ' 60' ' ' THR . 18.4 Cg_endo -75.0 -7.28 19.02 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.501 1.79 . . . . 0.0 111.033 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -95.63 -20.85 18.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 0.0 109.312 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.78 ' CE1' ' CD2' ' A' ' 53' ' ' TYR . 1.2 m-85 -106.07 26.67 9.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.424 1.078 . . . . 0.0 111.014 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.47 ' CG2' ' HA ' ' A' ' 57' ' ' PRO . 66.8 p -69.25 -12.4 61.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 110.386 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.616 ' CE1' ' CD1' ' A' ' 59' ' ' PHE . 43.4 p90 -70.04 -39.21 75.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 111.013 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.446 ' N ' ' CG ' ' A' ' 61' ' ' PHE . 10.4 mt -39.61 -67.5 0.22 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.332 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 13.1 m-70 -47.07 -50.99 18.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 109.615 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -62.21 110.39 1.61 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.16 . . . . 0.0 109.338 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.559 ' HG2' ' CE1' ' A' ' 70' ' ' PHE . 4.5 mtmp? -107.26 33.08 4.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.326 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.444 ' ND2' ' O ' ' A' ' 65' ' ' LYS . 22.7 m-80 -175.51 52.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 83.5 p -118.23 -70.87 0.77 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.578 1.174 . . . . 0.0 110.035 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.487 ' HG2' ' N ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER 174.94 -31.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 110.279 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.487 ' N ' ' HG2' ' A' ' 68' ' ' ARG . 0.6 OUTLIER -78.41 -52.45 8.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 110.342 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.559 ' CE1' ' HG2' ' A' ' 65' ' ' LYS . 82.8 t80 -59.46 -21.21 59.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 111.017 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 19.0 mt -75.2 -46.85 31.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.297 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.565 ' CE2' ' HG2' ' A' ' 28' ' ' ARG . 52.4 t80 -64.44 -46.56 82.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 111.027 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.481 ' HA ' ' CG2' ' A' ' 31' ' ' ILE . 5.3 t80 -47.56 -36.79 11.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 111.002 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 13.5 mmt180 -74.32 -31.4 62.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 110.295 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.471 ' NH2' ' HA ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -68.27 -73.78 0.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.138 . . . . 0.0 110.298 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 79' ' ' GLU . 0.1 OUTLIER -37.17 -44.92 0.59 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.478 HG21 ' CB ' ' A' ' 35' ' ' ALA . 2.9 t -40.28 -46.28 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . -55.65 -48.51 74.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.281 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 76' ' ' LYS . 24.3 tp10 -55.98 -67.69 0.27 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.123 . . . . 0.0 110.304 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.429 ' CD1' ' HB1' ' A' ' 39' ' ' ALA . 0.0 OUTLIER -52.82 -39.82 32.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 109.31 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.407 ' O ' ' C ' ' A' ' 82' ' ' LYS . 9.7 mmm180 -50.06 -53.4 27.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.25 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.52 ' HG3' ' CZ ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.475 ' HA ' ' CD2' ' A' ' 11' ' ' TYR . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.324 -0.25 . . . . 0.0 110.324 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.481 ' CA ' ' HG2' ' A' ' 13' ' ' GLN . 61.5 m-20 -45.18 -26.75 0.52 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.566 ' CD2' ' HG3' ' A' ' 82' ' ' LYS . 4.6 p90 -50.43 -19.5 0.87 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 111.007 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -104.77 -21.64 13.32 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.488 1.117 . . . . 0.0 110.261 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.481 ' HG2' ' CA ' ' A' ' 10' ' ' ASP . 0.6 OUTLIER -65.48 -11.59 44.64 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.546 1.153 . . . . 0.0 110.301 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.45 ' HA ' ' CD1' ' A' ' 17' ' ' ILE . 30.6 m95 -91.07 -26.9 18.93 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.964 -1.124 . . . . 0.0 107.964 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.499 ' CD1' ' O ' ' A' ' 75' ' ' ARG . 1.4 tp -66.05 -42.63 89.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -44.66 -37.09 3.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 110.297 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.45 ' CD1' ' HA ' ' A' ' 14' ' ' TRP . 0.4 OUTLIER -113.83 94.82 3.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.514 1.133 . . . . 0.0 109.3 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.513 ' HD2' ' CE1' ' A' ' 72' ' ' TYR . 23.5 mmtp -79.52 -172.03 3.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.489 HG11 ' CA ' ' A' ' 72' ' ' TYR . 2.4 m -89.8 166.98 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.125 . . . . 0.0 109.305 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.495 ' HA ' ' C ' ' A' ' 21' ' ' PRO . 81.1 p -116.54 144.7 33.71 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.936 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.495 ' C ' ' HA ' ' A' ' 20' ' ' SER . 18.3 Cg_endo -75.0 174.44 52.7 Favored 'Cis proline' 0 C--N 1.36 1.161 0 C-N-CA 121.018 -2.493 . . . . 0.0 110.998 -0.023 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 3.83 5.28 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.484 1.781 . . . . 0.0 111.017 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -68.62 -25.9 65.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 110.299 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -52.82 -19.11 6.39 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.486 1.116 . . . . 0.0 111.039 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -50.4 -22.88 2.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 0.766 . . . . 0.0 109.309 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -78.37 -55.64 5.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.263 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.448 ' O ' ' N ' ' A' ' 30' ' ' VAL . 5.4 m -64.52 -14.53 57.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.403 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.1 tmm_? -45.91 -49.6 15.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.152 . . . . 0.0 110.346 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.1 mtm180 -56.46 -25.08 49.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 110.321 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.448 ' N ' ' O ' ' A' ' 27' ' ' THR . 72.2 t -95.41 -24.67 4.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 0.0 109.257 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.48 ' CG2' ' HA ' ' A' ' 73' ' ' TYR . 85.2 mt -80.08 -64.9 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.163 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 31' ' ' ILE . 3.7 mt-10 -37.17 -39.69 0.27 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.555 1.16 . . . . 0.0 110.304 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -46.58 -54.92 8.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.451 ' CD1' ' CD2' ' A' ' 62' ' ' LEU . 1.2 tt -53.75 -48.14 69.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.26 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.478 ' CB ' HG21 ' A' ' 77' ' ' VAL . . . -60.1 -60.02 4.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.48 ' O ' ' CG ' ' A' ' 40' ' ' GLU . 4.4 tpt180 -45.22 -33.6 2.4 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.451 1.094 . . . . 0.0 110.261 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 32.9 t80 -78.46 -49.32 13.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 0.0 110.982 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.443 HG21 ' CD2' ' A' ' 34' ' ' LEU . 2.9 t -66.33 -69.12 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.456 ' CB ' HD12 ' A' ' 80' ' ' ILE . . . -40.39 -33.93 0.29 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.48 ' CG ' ' O ' ' A' ' 36' ' ' ARG . 1.7 mm-40 -57.88 -67.77 0.31 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.261 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -76.94 -67.25 1.69 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.482 1.114 . . . . 0.0 110.993 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 157.6 -143.61 9.69 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -33.75 4.36 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.48 1.779 . . . . 0.0 110.995 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -52.67 -29.53 26.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 110.279 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.519 ' N ' ' CD2' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -73.34 -59.49 2.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.369 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 11.0 tm-20 -42.4 -38.09 1.77 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.132 . . . . 0.0 110.306 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -71.92 -63.19 1.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.414 ' O ' ' N ' ' A' ' 51' ' ' GLU . 61.2 t -48.4 -48.55 13.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 0.0 109.274 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -44.31 -59.85 2.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.278 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 1.8 mtt -46.46 -23.97 0.45 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.979 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 48' ' ' VAL . 19.2 tp10 -94.82 -52.92 4.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.444 1.09 . . . . 0.0 110.268 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -55.67 -20.91 15.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.433 1.083 . . . . 0.0 109.315 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.427 ' C ' ' N ' ' A' ' 55' ' ' ASP . 5.1 m-30 -114.53 21.01 14.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 111.013 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 53' ' ' TYR . 3.5 tttt -38.6 -32.8 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 109.258 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.427 ' N ' ' C ' ' A' ' 53' ' ' TYR . 15.9 m-20 -115.31 80.94 1.5 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.264 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.477 ' HB2' ' CB ' ' A' ' 59' ' ' PHE . 1.1 p30 -106.63 121.3 45.58 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 109.263 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -61.86 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.49 1.784 . . . . 0.0 110.997 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -95.8 -16.98 21.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.482 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 0.2 OUTLIER -88.25 31.55 0.8 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 110.981 -179.958 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.539 ' HB ' ' CE1' ' A' ' 63' ' ' HIS . 77.8 p -76.08 -12.39 60.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 110.458 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.482 ' CE1' ' HA ' ' A' ' 59' ' ' PHE . 49.6 p90 -63.79 -13.42 43.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 111.035 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.451 ' CD2' ' CD1' ' A' ' 34' ' ' LEU . 13.8 mt -64.93 -44.58 89.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.249 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.539 ' CE1' ' HB ' ' A' ' 60' ' ' THR . 12.7 p80 -91.07 35.72 0.91 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.147 . . . . 0.0 109.609 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -146.67 93.28 2.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.274 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.581 ' CD ' ' CZ ' ' A' ' 70' ' ' PHE . 14.1 mmtt -60.48 -85.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.35 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 25.3 p30 -70.82 70.83 0.5 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.407 ' O ' ' HB3' ' A' ' 68' ' ' ARG . 2.0 t -115.03 -83.5 0.62 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 109.991 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.425 ' HG2' ' N ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER 173.51 -30.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 110.279 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.476 ' HB3' ' CG ' ' A' ' 61' ' ' PHE . 1.0 OUTLIER -92.73 -32.83 14.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 110.288 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.581 ' CZ ' ' CD ' ' A' ' 65' ' ' LYS . 58.1 t80 -68.07 -33.16 74.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.989 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -69.59 -51.91 30.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.249 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.513 ' CE1' ' HD2' ' A' ' 18' ' ' LYS . 34.5 t80 -56.47 -38.92 72.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 110.986 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.507 ' O ' ' CG2' ' A' ' 77' ' ' VAL . 2.3 t80 -56.98 -26.85 60.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.142 . . . . 0.0 111.004 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 6.1 mtm180 -89.62 -34.42 16.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 110.263 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.499 ' O ' ' CD1' ' A' ' 15' ' ' LEU . 23.3 mmt180 -61.58 -32.66 72.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.291 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.456 ' O ' ' N ' ' A' ' 79' ' ' GLU . 8.7 mmtt -86.88 -35.22 19.11 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.507 ' CG2' ' O ' ' A' ' 73' ' ' TYR . 2.6 t -47.06 -45.31 8.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -66.27 -30.84 71.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.542 1.151 . . . . 0.0 109.281 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 76' ' ' LYS . 23.4 tp10 -73.01 -56.68 4.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 110.292 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.456 HD12 ' CB ' ' A' ' 39' ' ' ALA . 0.0 OUTLIER -63.81 -40.17 88.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.261 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.49 ' CG ' ' O ' ' A' ' 77' ' ' VAL . 1.8 mmm180 -47.16 -63.8 0.95 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.333 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.566 ' HG3' ' CD2' ' A' ' 11' ' ' TYR . 7.4 mmtt . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.33 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.418 ' HA ' ' CD2' ' A' ' 11' ' ' TYR . 5.8 mt-10 . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.261 -0.274 . . . . 0.0 110.261 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.453 ' O ' ' N ' ' A' ' 13' ' ' GLN . 0.7 OUTLIER -60.02 -15.66 24.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.574 ' CE1' ' HB2' ' A' ' 12' ' ' GLU . 4.2 p90 -47.98 -29.76 3.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 111.006 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.574 ' HB2' ' CE1' ' A' ' 11' ' ' TYR . 26.2 tt0 -91.08 -21.64 21.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 110.282 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.453 ' N ' ' O ' ' A' ' 10' ' ' ASP . 0.1 OUTLIER -60.01 -16.7 32.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 110.282 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 27.6 m95 -77.55 -27.69 51.61 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.443 ' CD2' ' HG2' ' A' ' 76' ' ' LYS . 12.8 mt -62.73 -28.16 69.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -58.96 -33.48 70.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 110.313 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -108.83 94.57 3.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.584 1.178 . . . . 0.0 109.283 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.3 mmtp -71.32 163.52 27.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.461 ' CG2' ' HB2' ' A' ' 72' ' ' TYR . 1.2 m -89.61 165.67 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.322 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.494 ' HA ' ' C ' ' A' ' 21' ' ' PRO . 73.2 p -116.59 150.08 44.96 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.127 . . . . 0.0 109.993 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.494 ' C ' ' HA ' ' A' ' 20' ' ' SER . 18.2 Cg_endo -75.06 174.21 53.91 Favored 'Cis proline' 0 C--N 1.359 1.122 0 C-N-CA 120.971 -2.512 . . . . 0.0 110.978 0.039 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 4.46 4.73 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.538 1.809 . . . . 0.0 111.014 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -68.32 -38.68 81.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.28 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -47.09 -26.03 2.87 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.493 1.121 . . . . 0.0 111.011 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -41.5 -36.55 0.91 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 0.772 . . . . 0.0 109.293 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -71.6 -53.33 14.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.303 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.475 ' O ' ' N ' ' A' ' 30' ' ' VAL . 1.8 m -60.54 -14.3 19.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.422 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.427 ' HD2' ' N ' ' A' ' 29' ' ' ARG . 2.7 tmm_? -38.86 -57.61 1.21 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.163 . . . . 0.0 110.294 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.427 ' N ' ' HD2' ' A' ' 28' ' ' ARG . 12.7 mtp180 -48.59 -38.76 21.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.294 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.475 ' N ' ' O ' ' A' ' 27' ' ' THR . 89.2 t -78.48 -55.12 10.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.455 HD13 ' CG ' ' A' ' 69' ' ' GLU . 35.7 mt -48.64 -63.08 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.465 ' OE2' ' CB ' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -45.6 -31.17 1.74 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.097 . . . . 0.0 110.303 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.423 ' CB ' ' O ' ' A' ' 30' ' ' VAL . 14.6 tptt -59.11 -50.42 74.12 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.131 . . . . 0.0 109.272 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 38.2 tp -63.29 -47.68 81.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.475 ' CB ' HG21 ' A' ' 77' ' ' VAL . . . -58.38 -49.8 75.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.279 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.9 ttt-85 -63.09 -23.39 67.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.274 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.461 ' CZ ' ' CD1' ' A' ' 45' ' ' LEU . 20.4 t80 -87.03 -36.96 17.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.159 . . . . 0.0 110.982 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.433 ' C ' ' N ' ' A' ' 40' ' ' GLU . 9.4 t -73.45 -73.27 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.444 ' HB2' ' CD1' ' A' ' 80' ' ' ILE . . . -39.94 -31.05 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.433 ' N ' ' C ' ' A' ' 38' ' ' VAL . 0.6 OUTLIER -58.99 -67.74 0.34 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.163 . . . . 0.0 110.28 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.0 -50.09 5.69 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.505 1.128 . . . . 0.0 110.993 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 38' ' ' VAL . . . 136.2 -142.75 14.03 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -28.19 9.38 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.486 1.782 . . . . 0.0 111.01 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -54.31 -32.8 57.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.282 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.555 ' N ' ' CD2' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -75.55 -42.69 51.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -59.25 -38.94 81.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 0.0 110.337 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 8.5 mtmm -69.85 -49.72 49.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.291 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.419 ' O ' ' N ' ' A' ' 51' ' ' GLU . 72.9 t -61.81 -46.81 95.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.335 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -44.75 -56.34 4.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 109.268 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -45.14 -24.49 0.25 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 111.028 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' A' ' 48' ' ' VAL . 6.1 mt-10 -95.81 -50.82 4.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 110.277 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -47.1 -47.2 23.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.543 ' CD2' ' CD2' ' A' ' 59' ' ' PHE . 8.0 m-85 -104.96 29.81 6.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 110.987 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -46.78 -43.5 18.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.281 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -119.96 77.94 1.29 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.271 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -134.74 118.64 13.48 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.3 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.472 ' HA ' ' CG2' ' A' ' 60' ' ' THR . 18.4 Cg_endo -75.03 -2.53 12.67 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.521 1.801 . . . . 0.0 110.994 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -99.34 -54.54 2.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 0.0 109.319 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.543 ' CD2' ' CD2' ' A' ' 53' ' ' TYR . 2.8 m-85 -84.68 34.54 0.54 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 111.017 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.472 ' CG2' ' HA ' ' A' ' 57' ' ' PRO . 68.7 p -65.09 -11.33 38.57 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.507 1.13 . . . . 0.0 110.359 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.522 ' CE1' ' HA ' ' A' ' 59' ' ' PHE . 43.3 p90 -75.51 -20.54 58.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 111.011 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -44.04 -71.2 0.08 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.42 ' O ' ' N ' ' A' ' 65' ' ' LYS . 4.4 m-70 -59.25 -74.95 0.06 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.497 1.123 . . . . 0.0 109.551 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 63' ' ' HIS . 0.5 OUTLIER -40.22 99.14 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 63' ' ' HIS . 0.3 OUTLIER -62.37 -48.07 81.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 109.346 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 32.9 m120 -75.87 59.32 1.23 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.097 . . . . 0.0 109.29 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 9.4 t -120.59 130.28 54.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 110.034 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.425 ' HG2' ' N ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -55.83 -24.11 34.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 110.291 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.511 ' HB3' ' CG ' ' A' ' 61' ' ' PHE . 0.7 OUTLIER -85.1 -28.92 25.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 110.315 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -83.07 -16.55 46.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 111.026 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 8.7 mt -82.19 -63.91 1.29 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.117 . . . . 0.0 109.28 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.461 ' HB2' ' CG2' ' A' ' 19' ' ' VAL . 30.3 t80 -53.09 -34.09 55.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 111.014 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.527 ' O ' ' CG2' ' A' ' 77' ' ' VAL . 0.9 OUTLIER -60.48 -30.75 69.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 110.999 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -92.65 -24.87 18.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.325 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -68.17 -40.32 82.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.347 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.465 ' CB ' ' OE2' ' A' ' 32' ' ' GLU . 0.0 OUTLIER -83.51 -24.78 31.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.327 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.527 ' CG2' ' O ' ' A' ' 73' ' ' TYR . 1.7 t -48.15 -36.97 6.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.319 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.38 -33.3 69.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 109.323 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 76' ' ' LYS . 5.2 tm-20 -66.99 -51.99 48.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 110.274 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.444 ' CD1' ' HB2' ' A' ' 39' ' ' ALA . 0.0 OUTLIER -69.54 -36.11 69.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.278 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 10.4 mmm-85 -49.31 -53.51 21.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.299 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 109.344 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.564 ' HA ' ' CD2' ' A' ' 11' ' ' TYR . 7.6 pt-20 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.283 -0.266 . . . . 0.0 110.283 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.447 ' O ' ' N ' ' A' ' 13' ' ' GLN . 1.3 m-20 -46.67 -25.29 0.69 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 109.333 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.583 ' CD2' ' HG3' ' A' ' 82' ' ' LYS . 4.1 p90 -48.67 -22.63 0.81 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 111.037 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.538 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -97.36 -22.5 16.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 110.309 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 10' ' ' ASP . 1.1 pp0? -60.03 -15.9 26.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 0.0 110.32 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 26.8 m95 -76.62 -19.09 58.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 107.992 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.441 HD22 ' HA ' ' A' ' 76' ' ' LYS . 9.5 mt -72.74 -23.28 60.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -62.97 -32.26 73.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 110.283 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -113.39 94.47 3.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.147 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.0 mmtm -61.52 164.1 6.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.457 ' CG1' ' O ' ' A' ' 68' ' ' ARG . 55.9 t -87.0 128.6 39.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.486 ' HA ' ' C ' ' A' ' 21' ' ' PRO . 0.4 OUTLIER -88.95 148.39 41.08 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.496 1.123 . . . . 0.0 110.013 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.486 ' C ' ' HA ' ' A' ' 20' ' ' SER . 18.3 Cg_endo -75.05 174.55 52.15 Favored 'Cis proline' 0 C--N 1.36 1.143 0 C-N-CA 120.999 -2.5 . . . . 0.0 110.976 0.033 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 4.49 4.7 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.489 1.784 . . . . 0.0 110.983 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -68.3 -36.05 78.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.262 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 25' ' ' ALA . . . -64.3 -12.53 51.13 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.45 1.094 . . . . 0.0 110.996 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.495 ' O ' ' CG ' ' A' ' 28' ' ' ARG . . . -39.03 -75.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 0.769 . . . . 0.0 109.299 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -39.78 -54.49 2.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 110.283 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.461 ' O ' ' N ' ' A' ' 30' ' ' VAL . 7.1 m -42.67 -38.33 2.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 110.373 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.495 ' CG ' ' O ' ' A' ' 25' ' ' ALA . 0.0 OUTLIER -40.2 -28.49 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 110.308 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.437 ' N ' ' C ' ' A' ' 27' ' ' THR . 5.7 mtm180 -62.07 -47.48 84.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 110.301 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.461 ' N ' ' O ' ' A' ' 27' ' ' THR . 1.1 p -77.85 -37.37 23.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.473 ' CG2' ' HA ' ' A' ' 73' ' ' TYR . 11.9 mt -60.3 -56.94 14.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.136 . . . . 0.0 109.344 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -45.3 -28.28 0.79 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 110.277 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.2 tptt -75.55 -43.05 50.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 109.314 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 31' ' ' ILE . 32.4 tp -70.82 -41.3 71.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 109.279 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.481 ' CB ' HG23 ' A' ' 77' ' ' VAL . . . -57.95 -46.28 85.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.433 ' NH1' ' OE2' ' A' ' 40' ' ' GLU . 18.0 ttt-85 -63.24 -59.95 4.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 110.304 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.526 ' CZ ' ' CD1' ' A' ' 45' ' ' LEU . 10.5 t80 -46.45 -45.68 18.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.981 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.448 ' C ' ' N ' ' A' ' 40' ' ' GLU . 6.7 t -66.92 -74.37 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.45 1.094 . . . . 0.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.461 ' CB ' HD12 ' A' ' 80' ' ' ILE . . . -38.74 -31.44 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.448 ' N ' ' C ' ' A' ' 38' ' ' VAL . 0.2 OUTLIER -61.22 -63.65 1.22 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 110.286 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -86.21 -69.7 1.33 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.482 1.114 . . . . 0.0 111.016 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 159.8 -141.5 7.53 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -29.1 8.6 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.448 1.762 . . . . 0.0 111.013 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -54.78 -32.15 59.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 110.329 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.564 ' N ' ' CD2' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -76.63 -40.91 47.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.339 179.95 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.51 -43.55 84.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.088 . . . . 0.0 110.271 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 8.7 mttt -66.05 -52.76 46.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 0.0 109.327 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 55.0 t -57.48 -36.71 54.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 109.343 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.434 ' CB ' HD12 ' A' ' 34' ' ' LEU . . . -55.05 -49.23 72.12 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.134 . . . . 0.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.472 ' HG2' ' CE1' ' A' ' 63' ' ' HIS . 6.5 mtt -57.65 -23.64 52.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 110.968 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -82.76 -47.86 11.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.292 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.94 -45.18 64.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.649 ' CD2' ' CD1' ' A' ' 59' ' ' PHE . 11.7 m-85 -103.67 24.34 11.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.972 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -41.15 -37.63 0.93 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.272 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -125.91 63.68 1.22 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.348 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.4 ' CB ' ' HB3' ' A' ' 53' ' ' TYR . 0.8 OUTLIER -135.25 120.83 14.02 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 0.0 109.286 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.404 ' O ' ' CG2' ' A' ' 60' ' ' THR . 18.2 Cg_endo -75.05 -18.67 18.42 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.452 1.764 . . . . 0.0 111.005 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -79.25 -41.93 27.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.331 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.649 ' CD1' ' CD2' ' A' ' 53' ' ' TYR . 0.7 OUTLIER -99.11 22.92 9.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.999 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.404 ' CG2' ' O ' ' A' ' 57' ' ' PRO . 5.1 t -69.87 -12.82 61.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.393 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.593 ' CE2' ' CD1' ' A' ' 59' ' ' PHE . 48.4 p90 -62.3 -38.72 90.47 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 110.969 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.438 ' N ' ' CD1' ' A' ' 61' ' ' PHE . 17.5 mt -40.41 -68.93 0.15 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.343 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.472 ' CE1' ' HG2' ' A' ' 50' ' ' MET . 14.4 m-70 -50.88 -74.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.589 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.63 97.13 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.436 1.085 . . . . 0.0 109.28 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 67' ' ' SER . 0.1 OUTLIER -65.09 -74.68 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.402 1.064 . . . . 0.0 109.294 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 16.6 m-80 -68.65 68.02 0.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 65' ' ' LYS . 0.9 OUTLIER -108.19 -72.29 0.73 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.521 1.138 . . . . 0.0 109.97 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.482 ' HA ' ' CD2' ' A' ' 71' ' ' LEU . 0.5 OUTLIER 167.45 -32.04 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 110.298 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -92.74 -37.35 12.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.291 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -54.65 -39.7 68.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 0.0 110.989 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.526 ' N ' ' CD1' ' A' ' 71' ' ' LEU . 0.1 OUTLIER -60.93 -43.55 98.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 109.282 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.438 ' N ' HG22 ' A' ' 19' ' ' VAL . 76.0 t80 -65.17 -47.62 76.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 0.0 111.021 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.473 ' HA ' ' CG2' ' A' ' 31' ' ' ILE . 1.3 t80 -42.28 -53.17 4.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 111.007 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -62.92 -33.88 76.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.293 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.444 ' HD2' ' CG2' ' A' ' 19' ' ' VAL . 0.0 OUTLIER -57.51 -75.81 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.324 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.446 ' O ' ' N ' ' A' ' 79' ' ' GLU . 0.3 OUTLIER -51.77 -34.32 39.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.329 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.481 HG23 ' CB ' ' A' ' 35' ' ' ALA . 1.4 t -47.08 -24.66 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.404 ' N ' ' C ' ' A' ' 76' ' ' LYS . . . -80.78 -41.83 22.74 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.46 ' OE1' ' CB ' ' A' ' 12' ' ' GLU . 12.1 tp10 -60.65 -46.37 90.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 110.278 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.461 HD12 ' CB ' ' A' ' 39' ' ' ALA . 0.0 OUTLIER -71.79 -38.23 64.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.411 ' CG ' ' O ' ' A' ' 77' ' ' VAL . 8.5 mmm-85 -47.3 -67.76 0.25 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.277 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.583 ' HG3' ' CD2' ' A' ' 11' ' ' TYR . 3.6 tmtt? . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.556 1.16 . . . . 0.0 109.258 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.448 ' HA ' ' CD2' ' A' ' 11' ' ' TYR . 2.7 tt0 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.313 -0.255 . . . . 0.0 110.313 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.428 ' O ' ' N ' ' A' ' 13' ' ' GLN . 8.7 m-20 -64.85 -12.25 46.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.582 ' CE1' ' HB3' ' A' ' 12' ' ' GLU . 4.6 p90 -50.1 -20.91 1.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 111.021 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.582 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 3.8 pt-20 -100.72 -19.43 16.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 110.296 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.428 ' N ' ' O ' ' A' ' 10' ' ' ASP . 0.7 OUTLIER -64.01 -11.68 31.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.273 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.467 ' HA ' ' CD1' ' A' ' 17' ' ' ILE . 31.4 m95 -84.19 -38.26 20.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 108.003 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.496 ' CD1' ' HD3' ' A' ' 76' ' ' LYS . 1.1 tp -57.09 -39.27 74.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -45.96 -32.18 2.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.355 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.467 ' CD1' ' HA ' ' A' ' 14' ' ' TRP . 0.1 OUTLIER -113.2 94.65 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.341 179.95 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.89 162.33 16.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.477 ' CG2' ' HA ' ' A' ' 72' ' ' TYR . 26.4 t -87.1 158.3 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.561 1.163 . . . . 0.0 109.343 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.479 ' HA ' ' C ' ' A' ' 21' ' ' PRO . 0.0 OUTLIER -108.09 154.55 41.14 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 109.951 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.479 ' C ' ' HA ' ' A' ' 20' ' ' SER . 18.1 Cg_endo -75.03 174.42 52.78 Favored 'Cis proline' 0 C--N 1.36 1.159 0 C-N-CA 121.008 -2.497 . . . . 0.0 110.99 0.034 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 4.05 5.1 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.505 1.792 . . . . 0.0 111.0 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -75.1 -14.48 60.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 110.325 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 25' ' ' ALA . . . -85.7 -12.63 71.67 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.454 1.096 . . . . 0.0 110.975 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.418 ' O ' ' CG ' ' A' ' 28' ' ' ARG . . . -39.93 -62.57 0.7 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 0.758 . . . . 0.0 109.323 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -59.06 -50.21 74.93 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.552 1.158 . . . . 0.0 110.293 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.495 ' O ' ' N ' ' A' ' 30' ' ' VAL . 24.9 m -41.77 -31.01 0.27 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 110.433 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.418 ' CG ' ' O ' ' A' ' 25' ' ' ALA . 0.2 OUTLIER -42.6 -26.58 0.13 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.14 . . . . 0.0 110.289 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.415 ' N ' ' C ' ' A' ' 27' ' ' THR . 1.1 mtm-85 -64.05 -40.83 97.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.278 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.495 ' N ' ' O ' ' A' ' 27' ' ' THR . 2.1 p -83.79 -32.95 9.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.436 ' O ' ' N ' ' A' ' 34' ' ' LEU . 9.6 mt -67.42 -57.76 8.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.141 . . . . 0.0 109.311 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 31' ' ' ILE . 15.5 mt-10 -36.1 -35.68 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 0.0 110.332 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.409 ' N ' ' O ' ' A' ' 31' ' ' ILE . 3.8 tptp -49.2 -54.11 18.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.287 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.562 ' CD1' ' CD1' ' A' ' 62' ' ' LEU . 0.5 OUTLIER -64.54 -43.57 93.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.284 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.471 ' HA ' ' CG1' ' A' ' 77' ' ' VAL . . . -52.33 -45.73 65.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 8.6 ttt180 -71.12 -60.75 2.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.15 . . . . 0.0 110.306 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.545 ' CZ ' HD11 ' A' ' 45' ' ' LEU . 22.6 t80 -44.47 -48.92 10.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 110.955 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.491 ' CG2' ' OH ' ' A' ' 73' ' ' TYR . 42.2 t -60.34 -75.88 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.483 ' HB1' ' CD1' ' A' ' 80' ' ' ILE . . . -40.96 -39.67 1.22 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -50.04 -67.11 0.29 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.306 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -85.64 -61.74 1.67 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.532 1.145 . . . . 0.0 111.03 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 38' ' ' VAL . . . 149.79 -139.44 7.39 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -33.47 4.55 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.51 1.795 . . . . 0.0 110.986 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.97 -30.54 47.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.353 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.557 ' N ' ' CD2' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -72.92 -54.61 8.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.138 . . . . 0.0 109.281 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -49.09 -25.99 2.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 110.299 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.82 -50.94 7.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 72.5 t -61.41 -33.41 56.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.341 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.448 ' O ' ' CD2' ' A' ' 53' ' ' TYR . . . -55.39 -46.18 76.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.138 . . . . 0.0 109.305 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 12.8 mtt -63.84 -15.89 59.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.547 1.154 . . . . 0.0 111.035 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -89.04 -44.67 10.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.132 . . . . 0.0 110.311 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.04 -38.67 88.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.448 ' CD2' ' O ' ' A' ' 49' ' ' ALA . 20.5 m-85 -102.99 18.03 22.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 111.039 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.81 -27.68 5.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -130.44 62.33 1.59 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -134.49 119.19 14.0 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.494 ' O ' ' CG2' ' A' ' 60' ' ' THR . 18.2 Cg_endo -74.97 -25.01 12.34 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.555 1.818 . . . . 0.0 110.981 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -75.14 -47.22 29.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.585 ' HA ' ' CE2' ' A' ' 61' ' ' PHE . 0.2 OUTLIER -96.54 22.31 8.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 110.992 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.494 ' CG2' ' O ' ' A' ' 57' ' ' PRO . 4.9 t -66.58 -11.7 54.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.1 . . . . 0.0 110.427 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.698 ' CE1' ' CD1' ' A' ' 62' ' ' LEU . 44.1 p90 -64.89 -14.49 59.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 111.027 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.698 ' CD1' ' CE1' ' A' ' 61' ' ' PHE . 0.4 OUTLIER -58.86 -60.07 4.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -73.36 65.72 0.89 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.632 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.426 ' O ' ' CG ' ' A' ' 70' ' ' PHE . 0.5 OUTLIER -174.18 112.66 0.17 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.305 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.549 ' HG3' ' CE2' ' A' ' 70' ' ' PHE . 0.0 OUTLIER -104.94 46.14 0.93 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 109.254 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 171.4 42.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.267 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.405 ' O ' ' HB3' ' A' ' 68' ' ' ARG . 30.2 t -100.39 -82.21 0.46 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.985 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.451 ' HG2' ' N ' ' A' ' 69' ' ' GLU . 0.6 OUTLIER 175.96 -30.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.157 . . . . 0.0 110.272 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.451 ' N ' ' HG2' ' A' ' 68' ' ' ARG . 0.3 OUTLIER -91.29 -36.77 13.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 110.281 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.549 ' CE2' ' HG3' ' A' ' 65' ' ' LYS . 73.8 t80 -69.42 -24.41 63.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.132 . . . . 0.0 111.007 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.406 ' O ' ' HG2' ' A' ' 75' ' ' ARG . 43.7 mt -73.05 -59.44 2.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.244 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.477 ' HA ' ' CG2' ' A' ' 19' ' ' VAL . 83.5 t80 -55.05 -35.68 64.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.463 1.102 . . . . 0.0 111.002 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.59 ' CE1' HG13 ' A' ' 77' ' ' VAL . 1.9 t80 -52.26 -57.18 10.49 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.454 1.097 . . . . 0.0 110.981 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 2.2 mmm180 -65.57 -15.37 62.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 110.332 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.493 ' O ' ' CD1' ' A' ' 15' ' ' LEU . 1.7 mmt85 -86.27 -22.25 26.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.332 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.496 ' HD3' ' CD1' ' A' ' 15' ' ' LEU . 0.4 OUTLIER -93.92 -39.69 10.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.59 HG13 ' CE1' ' A' ' 73' ' ' TYR . 3.5 m -51.24 -46.57 33.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.103 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.426 ' N ' HG22 ' A' ' 77' ' ' VAL . . . -53.21 -45.49 68.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.34 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -57.62 -65.92 0.55 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.498 1.123 . . . . 0.0 110.308 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.483 ' CD1' ' HB1' ' A' ' 39' ' ' ALA . 0.0 OUTLIER -56.74 -41.15 74.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 109.347 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.49 ' CG ' ' O ' ' A' ' 77' ' ' VAL . 3.5 mmm180 -44.17 -68.59 0.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.31 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.582 ' HB3' ' CE2' ' A' ' 11' ' ' TYR . 1.3 mmtt . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.571 1.17 . . . . 0.0 109.287 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.434 ' O ' ' N ' ' A' ' 13' ' ' GLN . 47.6 m-20 -60.21 -16.45 33.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.584 ' C ' ' CD1' ' A' ' 11' ' ' TYR . 1.1 p90 -48.16 -25.51 1.51 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.1 . . . . 0.0 111.023 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.577 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 1.0 OUTLIER -96.26 -22.8 17.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.125 . . . . 0.0 110.304 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.434 ' N ' ' O ' ' A' ' 10' ' ' ASP . 0.1 OUTLIER -58.54 -19.58 38.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 110.286 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 24.7 m95 -73.95 -37.1 64.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 107.972 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.475 HD11 ' CG ' ' A' ' 79' ' ' GLU . 5.6 mt -55.12 -22.8 18.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -63.04 -42.72 99.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 0.0 110.327 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.495 ' O ' ' CZ ' ' A' ' 75' ' ' ARG . 0.1 OUTLIER -102.29 94.56 3.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.454 1.096 . . . . 0.0 109.279 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.412 ' HA ' ' NH2' ' A' ' 75' ' ' ARG . 0.0 OUTLIER -73.85 160.23 31.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 0.0 109.307 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.465 ' CG2' ' HB2' ' A' ' 72' ' ' TYR . 0.9 OUTLIER -87.27 157.02 3.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.33 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.479 ' HA ' ' C ' ' A' ' 21' ' ' PRO . 5.3 p -111.1 153.51 43.88 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 110.015 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.479 ' C ' ' HA ' ' A' ' 20' ' ' SER . 18.4 Cg_endo -74.95 174.35 53.09 Favored 'Cis proline' 0 C--N 1.36 1.159 0 C-N-CA 120.999 -2.501 . . . . 0.0 111.021 -0.034 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 4.38 4.79 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.467 1.772 . . . . 0.0 111.065 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -68.69 -43.04 76.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.277 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -56.61 -18.39 23.52 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.496 1.123 . . . . 0.0 111.019 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.5 ' O ' ' CG ' ' A' ' 28' ' ' ARG . . . -45.9 -49.2 15.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 0.746 . . . . 0.0 109.304 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -68.05 -41.34 82.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 110.308 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 94.3 m -60.6 -14.84 22.63 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.51 1.131 . . . . 0.0 110.424 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.501 ' CZ ' ' OE2' ' A' ' 32' ' ' GLU . 0.0 OUTLIER -46.76 -36.65 7.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 110.244 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 9.0 mtm180 -55.51 -27.6 49.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.566 1.166 . . . . 0.0 110.338 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.484 ' CG1' ' CE2' ' A' ' 59' ' ' PHE . 99.6 t -95.27 -27.82 4.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.557 HD11 ' CD2' ' A' ' 72' ' ' TYR . 59.4 mt -74.79 -56.56 8.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.438 1.086 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.501 ' OE2' ' CZ ' ' A' ' 28' ' ' ARG . 82.0 mt-10 -41.07 -38.85 1.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 110.323 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.8 mmtm -60.65 -47.49 86.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 0.0 109.317 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.516 ' CD1' ' CD2' ' A' ' 62' ' ' LEU . 0.2 OUTLIER -63.32 -50.99 67.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.507 ' CB ' HG23 ' A' ' 77' ' ' VAL . . . -59.93 -40.21 88.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.3 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.401 ' O ' ' N ' ' A' ' 40' ' ' GLU . 33.5 ttt180 -65.05 -68.07 0.39 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 0.0 110.32 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.56 ' CZ ' HD13 ' A' ' 45' ' ' LEU . 25.7 t80 -44.83 -43.73 8.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 111.003 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.422 ' C ' ' N ' ' A' ' 40' ' ' GLU . 23.8 t -61.89 -76.33 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.461 ' HB1' ' CD1' ' A' ' 80' ' ' ILE . . . -45.42 -26.68 0.58 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.332 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.422 ' N ' ' C ' ' A' ' 38' ' ' VAL . 0.5 OUTLIER -64.49 -62.61 1.49 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 110.32 179.954 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -83.84 -60.52 1.95 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.562 1.164 . . . . 0.0 111.028 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 153.09 -142.7 9.49 Favored Glycine 0 CA--C 1.529 0.952 0 N-CA-C 111.024 -0.831 . . . . 0.0 111.024 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.454 ' O ' ' N ' ' A' ' 46' ' ' GLU . 18.4 Cg_endo -75.01 -46.96 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.477 1.777 . . . . 0.0 110.99 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -42.62 -31.53 0.47 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.284 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.56 HD13 ' CZ ' ' A' ' 37' ' ' PHE . 0.1 OUTLIER -68.05 -46.83 70.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 43' ' ' PRO . 2.6 tm-20 -60.33 -31.62 70.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 110.312 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.559 ' N ' ' CD ' ' A' ' 47' ' ' LYS . 0.1 OUTLIER -74.56 -36.58 63.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 109.349 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 23.7 t -77.43 -38.04 25.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -53.3 -43.74 67.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.11 . . . . 0.0 109.297 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 24.1 mtt -68.26 -12.46 61.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 111.002 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -98.26 -40.19 8.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 110.297 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.418 ' HB3' ' CE1' ' A' ' 53' ' ' TYR . 1.9 m-20 -62.58 -42.0 99.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.328 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.495 ' CD2' ' CD1' ' A' ' 59' ' ' PHE . 1.9 m-85 -108.95 31.13 5.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 110.976 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.91 -52.01 52.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -103.13 65.91 0.88 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.32 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -135.11 120.07 13.78 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.297 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -11.34 21.44 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.494 1.786 . . . . 0.0 110.973 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -91.81 -42.56 10.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.283 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.635 ' CD1' ' CE2' ' A' ' 61' ' ' PHE . 1.3 m-85 -99.41 20.95 12.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.14 . . . . 0.0 111.015 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 2.3 t -66.83 -12.64 59.79 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 110.404 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.635 ' CE2' ' CD1' ' A' ' 59' ' ' PHE . 46.4 p90 -64.19 -34.28 77.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.427 1.079 . . . . 0.0 110.978 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.516 ' CD2' ' CD1' ' A' ' 34' ' ' LEU . 35.5 mt -44.12 -54.3 5.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.338 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -73.62 58.3 0.59 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 109.567 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.4 t0 171.88 115.13 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.127 . . . . 0.0 109.317 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.566 ' HD2' ' CZ ' ' A' ' 70' ' ' PHE . 8.3 mmtp -68.03 -71.24 0.22 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 54.3 m-80 -79.61 72.63 6.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.32 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -108.32 -74.58 0.65 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.02 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.483 ' HA ' ' CD2' ' A' ' 71' ' ' LEU . 10.7 ptm180 170.74 -35.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 110.323 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.472 ' HG2' ' CD1' ' A' ' 31' ' ' ILE . 1.5 mt-10 -94.67 -32.38 13.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 110.335 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.566 ' CZ ' ' HD2' ' A' ' 65' ' ' LYS . 66.9 t80 -61.99 -36.89 82.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 110.997 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.549 ' N ' ' CD1' ' A' ' 71' ' ' LEU . 0.0 OUTLIER -63.51 -61.87 2.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 109.278 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.557 ' CD2' HD11 ' A' ' 31' ' ' ILE . 82.9 t80 -54.04 -29.27 43.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 111.0 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.499 ' O ' ' CG2' ' A' ' 77' ' ' VAL . 0.8 OUTLIER -78.9 -16.2 57.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 0.0 110.968 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.6 mmm180 -93.35 -38.6 11.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.29 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.495 ' CZ ' ' O ' ' A' ' 17' ' ' ILE . 0.1 OUTLIER -67.75 -42.41 81.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 110.338 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.463 ' O ' ' N ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -74.11 -32.51 63.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.341 179.941 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.507 HG23 ' CB ' ' A' ' 35' ' ' ALA . 0.9 OUTLIER -49.38 -23.56 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.118 . . . . 0.0 109.281 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -86.49 -34.13 20.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.475 ' CG ' HD11 ' A' ' 15' ' ' LEU . 22.4 tp10 -67.3 -39.82 85.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 110.282 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.461 ' CD1' ' HB1' ' A' ' 39' ' ' ALA . 0.0 OUTLIER -78.42 -40.09 24.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.411 ' O ' ' C ' ' A' ' 82' ' ' LYS . 3.1 mmm180 -42.65 -60.27 1.61 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 110.328 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 81' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.444 ' O ' ' CG ' ' A' ' 12' ' ' GLU . 3.2 mt-10 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 13' ' ' GLN . 0.7 OUTLIER -44.18 -35.75 2.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.303 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.595 ' C ' ' CD1' ' A' ' 11' ' ' TYR . 0.7 OUTLIER -49.22 -24.69 1.86 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 111.017 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.444 ' CG ' ' O ' ' A' ' 9' ' ' GLU . 0.0 OUTLIER -95.48 -21.34 18.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.291 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.441 ' N ' ' O ' ' A' ' 10' ' ' ASP . 0.0 OUTLIER -63.88 -11.62 29.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.132 . . . . 0.0 110.316 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 39.1 m95 -88.51 -30.29 19.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.127 . . . . 0.0 107.988 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.467 HD21 ' CG ' ' A' ' 79' ' ' GLU . 1.0 OUTLIER -56.38 -39.6 73.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.329 179.944 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -60.78 -19.35 59.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 110.278 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.425 ' HB ' ' NH1' ' A' ' 75' ' ' ARG . 0.8 OUTLIER -109.32 94.58 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.53 156.1 25.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.457 ' CG2' ' HA ' ' A' ' 72' ' ' TYR . 21.8 t -88.46 130.69 37.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.456 ' HA ' ' C ' ' A' ' 21' ' ' PRO . 0.0 OUTLIER -93.21 156.66 39.95 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.955 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.456 ' C ' ' HA ' ' A' ' 20' ' ' SER . 18.3 Cg_endo -74.98 174.31 53.33 Favored 'Cis proline' 0 C--N 1.361 1.193 0 C-N-CA 120.972 -2.512 . . . . 0.0 111.043 -0.043 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 4.45 4.72 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.486 1.782 . . . . 0.0 111.003 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -71.07 -24.26 62.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 110.321 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -71.07 -12.62 71.93 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.479 1.112 . . . . 0.0 111.05 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.405 ' O ' ' CG ' ' A' ' 28' ' ' ARG . . . -57.8 -19.61 29.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 0.773 . . . . 0.0 109.356 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -78.3 -40.21 37.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.327 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.421 ' O ' ' N ' ' A' ' 30' ' ' VAL . 63.6 m -83.08 -14.92 52.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.413 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.405 ' CG ' ' O ' ' A' ' 25' ' ' ALA . 0.4 OUTLIER -50.42 -22.88 2.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 0.0 110.29 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.6 mtp180 -76.72 -27.12 55.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.317 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.421 ' N ' ' O ' ' A' ' 27' ' ' THR . 64.8 t -95.16 -26.36 4.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 0.0 109.281 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.478 HD12 ' CG ' ' A' ' 69' ' ' GLU . 20.8 mt -69.9 -54.67 17.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -40.3 -35.32 0.4 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 110.318 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.4 tptp -58.54 -49.82 76.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 109.326 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.486 HD11 ' CD1' ' A' ' 62' ' ' LEU . 0.6 OUTLIER -54.78 -50.62 68.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.457 ' CB ' HG23 ' A' ' 77' ' ' VAL . . . -57.97 -54.87 42.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.465 ' O ' ' CB ' ' A' ' 40' ' ' GLU . 16.4 ttt180 -59.15 -16.45 20.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 110.259 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.466 ' CD1' HD13 ' A' ' 45' ' ' LEU . 11.8 t80 -95.17 -25.56 16.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 110.981 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.455 ' C ' ' N ' ' A' ' 40' ' ' GLU . 23.7 t -94.55 -76.61 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.456 ' HB3' ' CD1' ' A' ' 80' ' ' ILE . . . -39.83 -29.44 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.465 ' CB ' ' O ' ' A' ' 36' ' ' ARG . 4.7 tp10 -66.24 -67.84 0.42 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 110.295 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -77.4 -64.22 2.12 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.503 1.127 . . . . 0.0 111.001 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 154.07 -145.75 13.32 Favored Glycine 0 CA--C 1.53 0.986 0 N-CA-C 110.976 -0.849 . . . . 0.0 110.976 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -29.54 8.15 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.451 1.763 . . . . 0.0 110.99 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -53.64 -31.0 45.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 0.0 110.311 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.55 ' N ' ' CD2' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -77.16 -37.39 53.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -66.48 -22.1 66.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 110.287 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.6 mttt -92.76 -40.87 10.44 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 93.9 t -73.76 -30.44 28.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 109.313 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.426 ' CB ' ' O ' ' A' ' 45' ' ' LEU . . . -63.26 -46.72 85.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 109.339 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 1.8 mtt -56.36 -20.12 17.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 110.993 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -98.16 -24.99 15.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 110.309 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.42 ' HB3' ' CE1' ' A' ' 53' ' ' TYR . 2.5 t0 -75.69 -35.89 60.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.647 ' CD2' ' CD2' ' A' ' 59' ' ' PHE . 1.9 m-85 -113.3 25.58 11.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 110.972 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 16.8 tttt -46.98 -48.11 21.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.322 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -113.21 79.41 1.23 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 0.0 109.262 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -133.21 119.77 15.71 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.29 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -14.25 21.24 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.506 1.793 . . . . 0.0 111.0 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -98.39 -42.43 7.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 109.315 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.647 ' CD2' ' CD2' ' A' ' 53' ' ' TYR . 0.2 OUTLIER -87.44 34.39 0.7 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.477 1.11 . . . . 0.0 110.992 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 64.4 p -71.86 -16.4 62.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 110.405 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.45 ' CE1' ' HA ' ' A' ' 59' ' ' PHE . 41.1 p90 -65.24 -17.94 64.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.999 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.486 ' CD1' HD11 ' A' ' 34' ' ' LEU . 0.9 OUTLIER -50.96 -71.21 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 7.3 m-70 -43.83 -68.12 0.22 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 109.604 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -39.86 127.67 2.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.245 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.573 ' HA ' ' CD2' ' A' ' 70' ' ' PHE . 6.7 mttt -121.51 39.03 3.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.334 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 172.46 50.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 109.282 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.431 ' O ' ' HB3' ' A' ' 68' ' ' ARG . 1.3 t -106.31 -72.28 0.72 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.981 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.498 ' HG2' ' N ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER 173.41 -30.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 110.304 -179.941 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.498 ' N ' ' HG2' ' A' ' 68' ' ' ARG . 1.2 mp0 -88.66 -38.98 14.37 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.466 1.104 . . . . 0.0 110.295 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.573 ' CD2' ' HA ' ' A' ' 65' ' ' LYS . 93.1 t80 -64.32 -41.01 97.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 111.004 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.426 ' CD2' ' H ' ' A' ' 71' ' ' LEU . 1.7 mm? -67.63 -40.81 84.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.457 ' HA ' ' CG2' ' A' ' 19' ' ' VAL . 78.3 t80 -62.89 -37.53 87.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 110.955 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.597 ' O ' ' CD1' ' A' ' 73' ' ' TYR . 0.2 OUTLIER -60.71 -20.0 60.09 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.966 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 7.4 mtm180 -92.92 -12.98 29.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.309 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.425 ' NH1' ' HB ' ' A' ' 17' ' ' ILE . 25.9 mmt180 -78.19 -75.87 0.21 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.557 1.161 . . . . 0.0 110.338 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.461 ' O ' ' N ' ' A' ' 79' ' ' GLU . 0.4 OUTLIER -46.82 -32.53 3.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.283 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.517 ' CG2' ' O ' ' A' ' 73' ' ' TYR . 1.2 t -44.66 -53.77 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.138 . . . . 0.0 109.293 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -52.47 -34.09 47.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.467 ' CG ' HD21 ' A' ' 15' ' ' LEU . 1.4 tm-20 -66.31 -62.74 1.31 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 110.28 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.456 ' CD1' ' HB3' ' A' ' 39' ' ' ALA . 0.0 OUTLIER -59.04 -34.19 52.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.309 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.42 ' HG2' ' CB ' ' A' ' 39' ' ' ALA . 9.2 mmm180 -49.27 -61.35 2.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.487 1.117 . . . . 0.0 110.276 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.504 ' C ' ' CD ' ' A' ' 82' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.461 ' HA ' ' CD2' ' A' ' 11' ' ' TYR . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 110.272 -0.27 . . . . 0.0 110.272 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.425 ' O ' ' N ' ' A' ' 13' ' ' GLN . 12.0 m-20 -48.84 -24.01 1.29 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.449 1.093 . . . . 0.0 109.289 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.573 ' CE2' ' HG3' ' A' ' 82' ' ' LYS . 2.8 p90 -50.43 -23.55 2.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 110.972 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.524 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 0.4 OUTLIER -95.54 -19.32 19.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 110.343 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.425 ' N ' ' O ' ' A' ' 10' ' ' ASP . 0.2 OUTLIER -63.8 -12.47 35.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 110.263 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.461 ' HA ' ' CD1' ' A' ' 17' ' ' ILE . 32.6 m95 -82.38 -11.38 58.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 0.0 108.035 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.538 ' CD2' ' HG2' ' A' ' 76' ' ' LYS . 40.0 mt -75.25 -32.99 61.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 109.312 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -55.68 -34.33 64.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 110.278 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.461 ' CD1' ' HA ' ' A' ' 14' ' ' TRP . 0.2 OUTLIER -113.52 97.35 5.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 179.951 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.9 160.51 28.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 97.9 t -87.29 122.92 39.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.296 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.496 ' CB ' ' HA ' ' A' ' 21' ' ' PRO . 0.6 OUTLIER -77.29 161.3 73.28 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.014 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.496 ' HA ' ' CB ' ' A' ' 20' ' ' SER . 18.3 Cg_endo -74.99 174.14 54.22 Favored 'Cis proline' 0 C--N 1.359 1.128 0 C-N-CA 121.016 -2.493 . . . . 0.0 111.018 -0.019 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 4.01 5.1 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.467 1.772 . . . . 0.0 111.0 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -69.94 -23.78 63.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 110.332 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.432 ' O ' ' N ' ' A' ' 28' ' ' ARG . . . -59.38 -14.58 27.68 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.492 1.12 . . . . 0.0 110.978 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -44.04 -34.63 1.81 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 0.775 . . . . 0.0 109.301 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -85.14 -61.26 1.81 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.431 1.082 . . . . 0.0 110.295 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.439 ' O ' ' N ' ' A' ' 30' ' ' VAL . 3.4 m -49.92 -21.65 1.25 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.428 1.08 . . . . 0.0 110.399 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.432 ' N ' ' O ' ' A' ' 24' ' ' GLY . 5.9 tmm_? -49.9 -24.08 2.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.103 . . . . 0.0 110.329 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 44.7 mtp180 -74.43 -28.55 61.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.296 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.439 ' N ' ' O ' ' A' ' 27' ' ' THR . 8.4 p -95.33 -26.48 4.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.356 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.432 HD11 ' CG ' ' A' ' 69' ' ' GLU . 58.9 mt -74.53 -64.4 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.567 1.167 . . . . 0.0 109.306 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.432 ' O ' ' N ' ' A' ' 36' ' ' ARG . 7.7 mm-40 -38.18 -36.84 0.24 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.327 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.476 ' O ' ' N ' ' A' ' 37' ' ' PHE . 0.1 OUTLIER -50.09 -52.7 32.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.322 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.534 ' HG ' ' CE1' ' A' ' 73' ' ' TYR . 17.4 tp -60.38 -35.82 76.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.477 ' CB ' HG22 ' A' ' 77' ' ' VAL . . . -71.42 -27.94 63.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.499 ' O ' ' CG ' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -89.02 -26.33 21.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 0.0 110.294 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.476 ' N ' ' O ' ' A' ' 33' ' ' LYS . 44.7 t80 -83.22 -45.38 13.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.123 . . . . 0.0 111.032 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.42 ' C ' ' N ' ' A' ' 40' ' ' GLU . 11.3 t -67.91 -72.63 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 38' ' ' VAL . . . -40.1 -32.36 0.17 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 109.336 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.499 ' CG ' ' O ' ' A' ' 36' ' ' ARG . 2.7 mm-40 -55.25 -64.87 0.7 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.097 . . . . 0.0 110.294 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -85.17 -58.1 2.14 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.449 1.093 . . . . 0.0 111.051 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 147.22 -142.74 10.54 Favored Glycine 0 CA--C 1.53 0.981 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -26.23 11.25 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.476 1.777 . . . . 0.0 111.055 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.491 ' O ' ' CG2' ' A' ' 48' ' ' VAL . 6.9 tt0 -57.9 -31.51 66.83 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.526 1.141 . . . . 0.0 110.27 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.569 ' N ' ' CD2' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -75.63 -35.85 60.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 109.287 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -67.27 -34.46 77.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.096 . . . . 0.0 110.281 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.5 mttt -77.96 -34.03 51.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.491 ' CG2' ' O ' ' A' ' 44' ' ' GLU . 78.5 t -80.43 -28.93 11.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.538 1.149 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.43 ' N ' ' O ' ' A' ' 45' ' ' LEU . . . -62.28 -46.08 90.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.568 1.168 . . . . 0.0 109.334 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.91 -19.44 12.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 111.013 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -97.61 -40.04 8.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 110.313 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.523 ' HB3' ' CD1' ' A' ' 53' ' ' TYR . 5.1 t70 -61.33 -43.24 99.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.267 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.561 ' N ' ' CD1' ' A' ' 53' ' ' TYR . 0.8 OUTLIER -109.53 30.02 7.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 111.02 -179.946 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 29.1 tttt -49.52 -25.34 2.61 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.472 1.108 . . . . 0.0 109.324 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -131.74 84.96 2.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.467 ' O ' ' CG2' ' A' ' 60' ' ' THR . 0.5 OUTLIER -135.09 119.19 13.34 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 109.306 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -16.43 20.13 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.462 1.77 . . . . 0.0 110.997 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -99.83 -43.63 6.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.503 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 0.2 OUTLIER -86.91 34.47 0.67 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 111.002 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.467 ' CG2' ' O ' ' A' ' 56' ' ' ASN . 68.3 p -69.36 -11.9 61.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.11 . . . . 0.0 110.422 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.503 ' CE1' ' HA ' ' A' ' 59' ' ' PHE . 44.5 p90 -72.82 -17.83 61.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.963 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.425 ' CD1' HD21 ' A' ' 34' ' ' LEU . 1.4 tp -51.41 -71.36 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.405 ' CD2' ' H ' ' A' ' 63' ' ' HIS . 4.5 m-70 -55.23 -66.06 0.48 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.155 . . . . 0.0 109.625 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -64.97 91.63 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.57 ' HG3' ' CZ ' ' A' ' 70' ' ' PHE . 0.1 OUTLIER -58.72 -58.59 7.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.292 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 16.5 m-80 -73.74 63.39 0.86 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.559 1.162 . . . . 0.0 109.302 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.404 ' O ' ' HB3' ' A' ' 68' ' ' ARG . 34.9 t -108.42 -79.72 0.58 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 110.043 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.474 ' HG2' ' N ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER 174.33 -30.62 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 110.245 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.474 ' N ' ' HG2' ' A' ' 68' ' ' ARG . 0.2 OUTLIER -87.94 -42.57 12.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.291 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.57 ' CZ ' ' HG3' ' A' ' 65' ' ' LYS . 79.6 t80 -52.54 -43.75 65.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 110.983 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.469 ' N ' ' CD1' ' A' ' 71' ' ' LEU . 0.1 OUTLIER -64.04 -60.16 3.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 49.6 t80 -50.56 -25.51 4.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 111.003 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.534 ' CE1' ' HG ' ' A' ' 34' ' ' LEU . 0.5 OUTLIER -81.74 -48.5 11.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 110.984 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.66 -18.97 65.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 110.245 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 69.7 mmt-85 -67.75 -76.72 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 110.27 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.538 ' HG2' ' CD2' ' A' ' 15' ' ' LEU . 0.3 OUTLIER -53.58 -25.39 17.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.477 HG22 ' CB ' ' A' ' 35' ' ' ALA . 0.9 OUTLIER -48.19 -36.69 6.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 0.0 109.298 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -74.42 -31.0 62.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.466 ' N ' ' O ' ' A' ' 76' ' ' LYS . 15.8 tp10 -71.08 -51.49 24.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.246 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -68.24 -39.31 80.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.15 . . . . 0.0 109.292 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 5.2 mmm180 -39.01 -59.1 1.02 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.312 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.573 ' HG3' ' CE2' ' A' ' 11' ' ' TYR . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.417 ' HA ' ' CD2' ' A' ' 11' ' ' TYR . 15.2 tt0 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.346 -0.242 . . . . 0.0 110.346 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.454 ' O ' ' N ' ' A' ' 13' ' ' GLN . 31.7 m-20 -45.2 -27.7 0.66 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.329 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.546 ' C ' ' CD1' ' A' ' 11' ' ' TYR . 2.3 p90 -47.63 -23.44 0.67 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.986 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.473 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 9.6 pt-20 -97.14 -25.16 15.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.291 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.454 ' N ' ' O ' ' A' ' 10' ' ' ASP . 0.1 OUTLIER -61.51 -13.86 24.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.103 . . . . 0.0 110.275 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 27.1 m95 -83.86 -36.77 23.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 108.009 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.494 ' CD1' ' O ' ' A' ' 75' ' ' ARG . 0.5 OUTLIER -52.67 -36.94 57.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -59.2 -19.53 46.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 110.255 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -113.2 93.93 2.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 109.344 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.41 156.02 28.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.118 . . . . 0.0 109.313 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -88.54 157.14 3.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.11 . . . . 0.0 109.252 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.473 ' HA ' ' C ' ' A' ' 21' ' ' PRO . 0.0 OUTLIER -101.3 152.84 38.04 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.556 1.16 . . . . 0.0 110.029 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.473 ' C ' ' HA ' ' A' ' 20' ' ' SER . 18.3 Cg_endo -75.09 174.37 53.08 Favored 'Cis proline' 0 C--N 1.36 1.144 0 C-N-CA 120.973 -2.511 . . . . 0.0 110.998 0.076 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 4.6 4.63 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.499 1.789 . . . . 0.0 110.966 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -75.38 -25.01 57.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 110.289 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -65.35 -12.86 57.04 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.519 1.137 . . . . 0.0 110.983 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.467 ' O ' ' CG ' ' A' ' 28' ' ' ARG . . . -45.31 -74.58 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.525 0.779 . . . . 0.0 109.285 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -46.97 -43.81 19.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.34 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.437 ' O ' ' N ' ' A' ' 30' ' ' VAL . 1.6 m -51.53 -24.51 5.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.155 . . . . 0.0 110.395 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.467 ' CG ' ' O ' ' A' ' 25' ' ' ALA . 0.3 OUTLIER -44.39 -25.66 0.27 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 110.261 -179.942 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.405 ' N ' ' C ' ' A' ' 27' ' ' THR . 29.1 mtm180 -66.96 -42.3 85.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 110.348 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.437 ' N ' ' O ' ' A' ' 27' ' ' THR . 1.9 p -82.6 -32.12 10.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.325 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.519 HD11 ' CD2' ' A' ' 72' ' ' TYR . 65.9 mt -67.23 -58.16 7.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -43.74 -36.43 2.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 110.283 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.4 tptt -50.67 -53.19 33.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.449 1.093 . . . . 0.0 109.305 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.461 ' CD1' HD23 ' A' ' 62' ' ' LEU . 0.4 OUTLIER -61.94 -46.08 90.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.32 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -52.42 -51.2 60.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 109.322 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.415 ' O ' ' CB ' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -64.72 -15.85 62.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 110.284 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.41 ' CG ' HD12 ' A' ' 45' ' ' LEU . 11.8 t80 -95.12 -24.05 17.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.987 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.51 ' CG2' ' OH ' ' A' ' 73' ' ' TYR . 25.6 t -91.33 -76.58 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.47 ' HB2' ' CD1' ' A' ' 80' ' ' ILE . . . -40.7 -28.87 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.446 ' N ' ' C ' ' A' ' 38' ' ' VAL . 2.7 tt0 -65.38 -62.11 1.72 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 110.335 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -85.85 -58.34 2.03 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.493 1.121 . . . . 0.0 110.994 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 38' ' ' VAL . . . 147.8 -144.47 12.46 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 110.984 -0.847 . . . . 0.0 110.984 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -33.65 4.37 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.508 1.793 . . . . 0.0 110.958 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -48.58 -35.95 14.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 110.313 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.526 ' N ' ' CD2' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -71.18 -59.29 2.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.297 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -40.21 -29.79 0.08 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.098 . . . . 0.0 110.314 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.421 ' N ' ' C ' ' A' ' 45' ' ' LEU . 0.2 OUTLIER -84.04 -51.8 6.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.263 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 47.8 t -56.78 -40.35 70.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.304 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -48.54 -49.97 34.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 109.277 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 11.8 mtt -58.44 -17.1 18.16 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.549 1.156 . . . . 0.0 111.037 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -96.93 -49.82 4.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.305 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -53.92 -32.7 54.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.338 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -121.11 30.77 6.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 0.0 111.047 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.1 tptp -46.95 -43.93 19.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -109.51 76.09 0.98 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.268 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.467 ' O ' ' CG2' ' A' ' 60' ' ' THR . 1.4 t-20 -133.09 119.22 15.55 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -14.33 21.15 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.499 1.789 . . . . 0.0 111.037 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -98.33 -45.03 6.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.266 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.471 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 0.5 OUTLIER -86.45 37.11 0.72 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 111.037 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.467 ' CG2' ' O ' ' A' ' 56' ' ' ASN . 64.0 p -76.06 -12.3 60.1 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.445 1.091 . . . . 0.0 110.349 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.471 ' CE1' ' HA ' ' A' ' 59' ' ' PHE . 48.4 p90 -67.23 -33.53 75.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 111.02 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.461 HD23 ' CD1' ' A' ' 34' ' ' LEU . 11.0 mt -45.97 -68.02 0.23 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 12.6 m-70 -51.51 -64.0 0.95 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.615 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -67.11 90.35 0.2 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 0.0 109.267 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.479 ' HG2' ' CZ ' ' A' ' 70' ' ' PHE . 31.7 mtpt -57.8 -25.15 60.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 109.284 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 38.8 p30 -110.07 60.67 0.6 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 109.306 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.425 ' O ' ' HB3' ' A' ' 68' ' ' ARG . 37.9 t -102.84 -77.56 0.56 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.502 1.126 . . . . 0.0 110.037 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.49 ' HG2' ' N ' ' A' ' 69' ' ' GLU . 0.1 OUTLIER 174.73 -29.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.297 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.49 ' N ' ' HG2' ' A' ' 68' ' ' ARG . 0.4 OUTLIER -92.13 -42.76 9.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.315 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.479 ' CZ ' ' HG2' ' A' ' 65' ' ' LYS . 63.7 t80 -57.26 -25.21 58.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.537 1.148 . . . . 0.0 110.955 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 19.1 mt -73.59 -60.85 2.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 109.332 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.519 ' CD2' HD11 ' A' ' 31' ' ' ILE . 78.5 t80 -57.7 -26.23 61.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 111.012 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.51 ' OH ' ' CG2' ' A' ' 38' ' ' VAL . 2.6 t80 -60.09 -60.09 4.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 110.99 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.466 ' HG2' ' CE2' ' A' ' 73' ' ' TYR . 9.6 mmm-85 -63.47 -14.26 48.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 110.301 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.494 ' O ' ' CD1' ' A' ' 15' ' ' LEU . 11.3 mmt180 -86.99 -25.59 24.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 110.342 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.427 ' O ' ' N ' ' A' ' 79' ' ' GLU . 0.5 OUTLIER -91.69 -41.44 10.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.294 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.479 ' CG1' ' O ' ' A' ' 73' ' ' TYR . 4.3 m -46.93 -50.72 5.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 109.29 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.454 ' N ' ' CG2' ' A' ' 77' ' ' VAL . . . -48.76 -27.86 3.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.125 . . . . 0.0 109.347 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.453 ' CG ' HD21 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -70.22 -58.06 4.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.314 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.47 ' CD1' ' HB2' ' A' ' 39' ' ' ALA . 0.0 OUTLIER -67.21 -34.3 68.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.453 ' HG2' ' CB ' ' A' ' 39' ' ' ALA . 6.7 mmm180 -43.32 -49.28 6.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 110.297 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.272 -0.27 . . . . 0.0 110.272 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.459 ' O ' ' N ' ' A' ' 13' ' ' GLN . 11.2 m-20 -42.6 -32.74 0.6 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.572 ' C ' ' CD1' ' A' ' 11' ' ' TYR . 1.8 p90 -47.37 -23.23 0.55 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 110.991 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.47 ' HB2' ' CE1' ' A' ' 11' ' ' TYR . 16.8 tp10 -96.96 -26.41 15.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.257 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.459 ' N ' ' O ' ' A' ' 10' ' ' ASP . 1.5 pt20 -63.24 -12.09 26.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.318 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 29.3 m95 -88.33 -20.93 24.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 108.036 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.547 ' CD2' ' HG2' ' A' ' 76' ' ' LYS . 24.3 mt -69.9 -26.1 64.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -64.11 -36.17 83.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.282 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -101.73 94.68 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.455 ' NZ ' ' O ' ' A' ' 15' ' ' LEU . 27.8 mmtm -83.71 158.62 21.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.317 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -88.49 156.77 3.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.263 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.472 ' HA ' ' C ' ' A' ' 21' ' ' PRO . 6.3 m -103.04 154.98 37.18 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.431 1.082 . . . . 0.0 110.0 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.472 ' C ' ' HA ' ' A' ' 20' ' ' SER . 18.2 Cg_endo -75.0 174.57 52.04 Favored 'Cis proline' 0 C--N 1.36 1.141 0 C-N-CA 120.995 -2.502 . . . . 0.0 110.99 0.013 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 4.04 5.1 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.482 1.78 . . . . 0.0 110.981 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -69.61 -26.93 64.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 110.353 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -56.11 -16.97 15.4 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.523 1.139 . . . . 0.0 111.025 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -48.16 -38.77 18.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 0.77 . . . . 0.0 109.348 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -76.37 -54.0 7.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 110.292 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.421 HG22 ' CG1' ' A' ' 30' ' ' VAL . 1.4 m -56.2 -18.48 10.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 110.422 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.493 ' C ' ' CD ' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -42.69 -26.74 0.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 110.286 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.409 ' N ' ' C ' ' A' ' 27' ' ' THR . 1.5 mtp180 -69.59 -49.74 51.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 110.32 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.421 ' CG1' HG22 ' A' ' 27' ' ' THR . 1.4 p -76.03 -30.63 20.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.29 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.453 ' CG2' ' HA ' ' A' ' 73' ' ' TYR . 68.5 mt -65.04 -51.93 60.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.115 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -67.62 -24.82 65.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.249 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.0 tptp -59.05 -35.19 72.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.34 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 38' ' ' VAL . 0.3 OUTLIER -76.68 -58.48 3.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 109.326 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.481 ' CB ' HG23 ' A' ' 77' ' ' VAL . . . -47.07 -50.08 20.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.341 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.491 ' HA ' ' CD1' ' A' ' 80' ' ' ILE . 0.0 OUTLIER -56.87 -25.29 56.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.307 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.427 ' N ' ' O ' ' A' ' 34' ' ' LEU . 14.0 t80 -93.72 -30.02 15.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 110.995 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.45 ' N ' ' O ' ' A' ' 34' ' ' LEU . 25.4 t -81.0 -75.87 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.452 ' CB ' ' HG2' ' A' ' 81' ' ' ARG . . . -40.13 -30.2 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.44 ' N ' ' C ' ' A' ' 38' ' ' VAL . 1.7 tt0 -64.03 -64.36 0.91 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 110.312 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -78.4 -58.72 3.05 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.503 1.127 . . . . 0.0 111.055 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 145.11 -144.08 12.68 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -36.41 2.58 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.542 1.811 . . . . 0.0 111.003 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -48.59 -31.45 6.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 110.281 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.539 ' N ' ' CD2' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -72.46 -62.78 1.32 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 109.295 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.1 tm-20 -39.6 -29.94 0.06 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.112 . . . . 0.0 110.297 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.409 ' N ' ' O ' ' A' ' 45' ' ' LEU . 2.0 mttt -80.48 -57.96 3.34 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.542 1.151 . . . . 0.0 109.308 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 40.2 t -54.77 -38.37 43.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.273 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.465 ' O ' ' CD2' ' A' ' 53' ' ' TYR . . . -53.63 -54.47 37.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 1.8 mtt -55.28 -17.54 4.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 111.046 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -98.21 -36.83 9.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.295 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -64.8 -25.41 67.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.568 1.168 . . . . 0.0 109.255 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.585 ' CD2' ' CD2' ' A' ' 59' ' ' PHE . 5.0 m-85 -125.61 29.62 5.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 0.0 111.004 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.4 ttmt -47.92 -28.61 2.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.311 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 -130.65 76.32 1.71 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.519 1.137 . . . . 0.0 109.27 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -135.41 120.24 13.54 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.266 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -8.45 20.03 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.512 1.796 . . . . 0.0 110.984 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -99.61 -43.72 6.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.585 ' CD2' ' CD2' ' A' ' 53' ' ' TYR . 0.2 OUTLIER -88.23 33.65 0.74 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 111.012 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 58.2 p -72.78 -12.58 61.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 110.382 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.475 ' CE1' ' HA ' ' A' ' 59' ' ' PHE . 43.3 p90 -69.67 -33.67 72.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 111.013 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.5 mt -43.7 -68.49 0.19 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 109.337 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -69.27 68.29 0.2 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 109.584 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.0 t0 172.39 115.82 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.544 ' HA ' ' CD1' ' A' ' 70' ' ' PHE . 0.2 OUTLIER -79.06 -74.68 0.27 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.514 1.134 . . . . 0.0 109.248 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 26.2 p30 -77.77 73.69 4.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.323 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 11.2 t -116.24 -76.46 0.57 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.991 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 170.71 -32.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.293 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -94.13 -39.27 10.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.437 1.086 . . . . 0.0 110.336 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.544 ' CD1' ' HA ' ' A' ' 65' ' ' LYS . 41.0 t80 -65.44 -16.91 64.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.467 1.104 . . . . 0.0 111.006 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 11.9 mt -85.29 -65.6 0.99 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 67.5 t80 -51.86 -23.06 4.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 110.968 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.517 ' O ' ' CG2' ' A' ' 77' ' ' VAL . 1.7 t80 -76.09 -32.33 59.17 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.482 1.114 . . . . 0.0 110.986 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.91 -20.42 27.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 110.331 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 21.6 mmt180 -74.17 -32.78 63.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 110.306 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.547 ' HG2' ' CD2' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -93.36 -22.23 19.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.098 . . . . 0.0 109.261 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.517 ' CG2' ' O ' ' A' ' 73' ' ' TYR . 1.9 t -48.75 -33.51 5.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -76.07 -31.26 58.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.157 . . . . 0.0 109.301 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.477 ' N ' ' O ' ' A' ' 76' ' ' LYS . 0.1 OUTLIER -70.23 -49.07 53.85 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.504 1.128 . . . . 0.0 110.311 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.491 ' CD1' ' HA ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -72.37 -35.48 52.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.459 ' CG ' ' O ' ' A' ' 77' ' ' VAL . 7.1 mmm-85 -48.23 -55.72 9.78 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 110.276 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.449 ' HD3' ' CD2' ' A' ' 11' ' ' TYR . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.258 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.437 ' HA ' ' CD2' ' A' ' 11' ' ' TYR . 4.7 mt-10 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.44 ' O ' ' N ' ' A' ' 13' ' ' GLN . 27.3 m-20 -57.78 -17.26 14.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.563 ' CE2' ' CB ' ' A' ' 82' ' ' LYS . 3.2 p90 -49.38 -23.79 1.63 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 111.002 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.488 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 1.8 pt-20 -94.09 -22.68 18.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.356 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.44 ' N ' ' O ' ' A' ' 10' ' ' ASP . 0.2 OUTLIER -60.54 -14.11 17.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.324 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.472 ' HB3' ' NH1' ' A' ' 75' ' ' ARG . 27.9 m95 -79.89 -27.73 39.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 108.01 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.476 HD13 ' CG ' ' A' ' 79' ' ' GLU . 5.2 mt -62.81 -16.16 57.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -68.13 -32.77 73.29 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.465 1.103 . . . . 0.0 110.265 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.544 ' O ' ' NH2' ' A' ' 75' ' ' ARG . 0.1 OUTLIER -110.52 92.32 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.34 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.84 168.78 0.85 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.271 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.503 ' CG2' ' HB2' ' A' ' 72' ' ' TYR . 14.1 m -86.62 160.52 3.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 109.314 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.479 ' HA ' ' C ' ' A' ' 21' ' ' PRO . 0.8 OUTLIER -128.19 151.45 76.22 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.549 1.156 . . . . 0.0 110.006 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.479 ' C ' ' HA ' ' A' ' 20' ' ' SER . 18.5 Cg_endo -74.94 174.51 52.25 Favored 'Cis proline' 0 C--N 1.36 1.177 0 C-N-CA 120.967 -2.514 . . . . 0.0 111.027 -0.065 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 4.21 4.95 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.489 1.784 . . . . 0.0 111.002 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -75.7 -18.33 59.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 110.276 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -82.29 -12.62 80.38 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.483 1.114 . . . . 0.0 111.017 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.426 ' O ' ' CG ' ' A' ' 28' ' ' ARG . . . -56.43 -18.53 11.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 0.782 . . . . 0.0 109.305 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -73.68 -35.15 65.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.445 1.091 . . . . 0.0 110.279 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.45 ' O ' ' N ' ' A' ' 29' ' ' ARG . 1.6 m -88.94 -25.93 21.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 110.351 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.574 ' HB2' ' CE2' ' A' ' 72' ' ' TYR . 0.0 OUTLIER -38.91 -29.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.296 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 27' ' ' THR . 61.7 mtp180 -68.63 -55.74 10.51 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.538 1.149 . . . . 0.0 110.301 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.421 HG13 ' CG2' ' A' ' 27' ' ' THR . 1.4 p -63.19 -32.35 56.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.566 1.167 . . . . 0.0 109.344 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.477 ' CG2' ' HA ' ' A' ' 73' ' ' TYR . 5.5 mt -66.28 -45.41 89.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -41.61 -42.99 2.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.142 . . . . 0.0 110.37 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.46 ' O ' ' N ' ' A' ' 37' ' ' PHE . 7.0 mmmt -64.65 -43.16 94.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.334 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' A' ' 31' ' ' ILE . 0.8 OUTLIER -56.93 -52.0 66.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.476 ' CB ' HG22 ' A' ' 77' ' ' VAL . . . -58.81 -50.9 72.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 109.321 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.467 ' O ' ' CG ' ' A' ' 40' ' ' GLU . 68.6 ttt180 -61.41 -32.57 72.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.297 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.46 ' N ' ' O ' ' A' ' 33' ' ' LYS . 27.2 t80 -74.98 -46.16 37.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 111.022 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.414 ' O ' ' C ' ' A' ' 39' ' ' ALA . 3.8 t -67.41 -70.72 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.1 . . . . 0.0 109.292 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 38' ' ' VAL . . . -39.6 -37.96 0.56 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.432 1.083 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.467 ' CG ' ' O ' ' A' ' 36' ' ' ARG . 1.4 mm-40 -50.94 -66.29 0.41 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 110.289 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -84.53 -62.94 1.66 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.523 1.139 . . . . 0.0 111.0 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 152.29 -141.61 8.64 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -30.35 7.25 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.478 1.778 . . . . 0.0 110.988 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -54.97 -33.1 62.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.287 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.56 ' N ' ' CD2' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -71.11 -52.59 18.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.343 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.07 -27.98 9.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.277 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.24 -49.31 12.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.324 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 53.9 t -60.5 -41.66 88.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -53.66 -49.54 67.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 3.1 mtt -47.43 -23.07 0.53 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 111.043 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -96.28 -33.81 11.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.311 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 36.0 t0 -66.66 -41.95 87.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.807 ' CD2' ' CD2' ' A' ' 59' ' ' PHE . 8.6 m-85 -109.34 28.97 7.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 111.012 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.4 ttmt -50.66 -55.2 17.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -110.85 77.74 1.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.329 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -135.32 119.82 13.42 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.468 ' HA ' ' CG2' ' A' ' 60' ' ' THR . 18.2 Cg_endo -74.96 -3.3 13.72 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.503 1.791 . . . . 0.0 110.988 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -99.77 -46.43 5.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.807 ' CD2' ' CD2' ' A' ' 53' ' ' TYR . 0.7 OUTLIER -87.96 32.27 0.75 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 110.984 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.468 ' CG2' ' HA ' ' A' ' 57' ' ' PRO . 74.6 p -68.59 -12.19 60.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.406 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.515 ' CE1' ' HA ' ' A' ' 59' ' ' PHE . 46.2 p90 -70.64 -36.14 73.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.96 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.409 ' C ' ' O ' ' A' ' 61' ' ' PHE . 7.2 mt -39.61 -69.3 0.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 15.3 m-70 -42.67 -55.03 3.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.572 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -52.98 140.61 24.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.558 ' HA ' ' CD1' ' A' ' 70' ' ' PHE . 11.1 mtmt -138.75 42.8 2.13 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 171.68 41.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 109.279 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.3 t -110.14 -70.45 0.81 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 110.012 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.487 ' HG2' ' N ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER 174.79 -32.15 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.488 1.117 . . . . 0.0 110.315 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.487 ' N ' ' HG2' ' A' ' 68' ' ' ARG . 0.5 OUTLIER -79.66 -49.75 11.66 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 0.0 110.289 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.558 ' CD1' ' HA ' ' A' ' 65' ' ' LYS . 34.8 t80 -61.43 -17.35 53.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 111.007 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.433 ' O ' ' CG ' ' A' ' 75' ' ' ARG . 18.2 mt -79.8 -54.94 5.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.438 1.086 . . . . 0.0 109.237 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.574 ' CE2' ' HB2' ' A' ' 28' ' ' ARG . 89.5 t80 -57.76 -37.15 73.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 110.97 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.498 ' O ' ' CG2' ' A' ' 77' ' ' VAL . 0.8 OUTLIER -54.1 -52.7 60.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 111.012 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.71 -20.55 59.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.304 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.544 ' NH2' ' O ' ' A' ' 17' ' ' ILE . 2.3 mmm180 -68.24 -77.47 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.281 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.451 ' O ' ' N ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -49.13 -25.26 2.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.498 ' CG2' ' O ' ' A' ' 73' ' ' TYR . 1.2 t -51.34 -26.19 5.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -80.45 -30.82 37.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.355 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.488 ' HA ' ' CE1' ' A' ' 11' ' ' TYR . 35.7 tp10 -73.39 -55.6 6.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.269 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -61.1 -40.11 84.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.406 ' CG ' ' O ' ' A' ' 77' ' ' VAL . 1.7 mmm180 -47.5 -68.52 0.18 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.116 . . . . 0.0 110.311 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.563 ' CB ' ' CE2' ' A' ' 11' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.137 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.482 ' O ' ' CG ' ' A' ' 12' ' ' GLU . 34.1 mt-10 . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.484 ' O ' ' N ' ' A' ' 13' ' ' GLN . 24.2 m-20 -41.01 -52.81 3.1 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.453 1.096 . . . . 0.0 109.312 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.571 ' CE1' ' HB3' ' A' ' 12' ' ' GLU . 0.2 OUTLIER -38.46 -29.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 110.991 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.571 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 2.7 pt-20 -110.58 -23.05 11.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.329 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.484 ' N ' ' O ' ' A' ' 10' ' ' ASP . 0.3 OUTLIER -73.19 -16.52 61.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.311 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 21.5 m95 -81.03 -8.76 59.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.155 . . . . 0.0 108.003 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.574 ' CD2' ' HG2' ' A' ' 76' ' ' LYS . 34.4 mt -77.42 -24.06 50.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -67.8 -47.03 70.25 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 110.276 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -92.13 95.22 5.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.269 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.16 159.43 27.41 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.468 1.105 . . . . 0.0 109.328 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.494 ' CG2' ' HB2' ' A' ' 72' ' ' TYR . 3.0 m -87.2 166.93 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.48 ' HA ' ' C ' ' A' ' 21' ' ' PRO . 59.1 m -112.37 150.8 43.12 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 0.0 110.052 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.48 ' C ' ' HA ' ' A' ' 20' ' ' SER . 18.4 Cg_endo -75.0 174.28 53.53 Favored 'Cis proline' 0 C--N 1.36 1.16 0 C-N-CA 121.0 -2.5 . . . . 0.0 111.036 0.014 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 4.41 4.78 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.506 1.793 . . . . 0.0 110.997 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 25' ' ' ALA . 3.1 tt0 -70.77 -39.79 73.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.344 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -38.43 -29.68 0.07 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.437 1.086 . . . . 0.0 111.003 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 23' ' ' GLU . . . -45.44 -39.79 7.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 0.765 . . . . 0.0 109.267 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -73.99 -48.13 32.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 110.283 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.459 ' O ' ' N ' ' A' ' 30' ' ' VAL . 92.6 m -63.67 -14.26 50.38 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.449 1.093 . . . . 0.0 110.386 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.452 ' O ' ' N ' ' A' ' 31' ' ' ILE . 0.3 OUTLIER -42.8 -56.02 3.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 110.266 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.433 ' N ' ' HD2' ' A' ' 28' ' ' ARG . 63.6 mtp180 -45.44 -26.29 0.54 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.255 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.521 HG12 ' CE2' ' A' ' 59' ' ' PHE . 63.1 t -95.05 -32.89 4.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.473 HD13 ' CG ' ' A' ' 69' ' ' GLU . 45.2 mt -72.61 -67.76 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.336 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.435 ' OE2' ' NE ' ' A' ' 28' ' ' ARG . 21.4 mt-10 -41.84 -31.34 0.31 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.128 . . . . 0.0 110.28 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.5 tptt -59.94 -48.62 80.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 109.291 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.462 ' CD2' HD21 ' A' ' 62' ' ' LEU . 48.9 tp -68.08 -45.72 73.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.469 ' CB ' HG22 ' A' ' 77' ' ' VAL . . . -54.14 -41.97 69.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 13.3 ttt-85 -71.07 -17.82 62.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 110.293 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 29.0 t80 -94.07 -33.86 13.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.1 . . . . 0.0 111.006 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.474 ' CG1' ' OH ' ' A' ' 73' ' ' TYR . 6.1 t -81.2 -75.95 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.462 1.102 . . . . 0.0 109.274 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.455 ' HB1' ' CD1' ' A' ' 80' ' ' ILE . . . -39.85 -29.96 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 38' ' ' VAL . 0.5 OUTLIER -62.74 -65.43 0.69 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 110.324 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -75.8 -52.8 6.19 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.473 1.108 . . . . 0.0 110.977 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 141.66 -147.44 18.99 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -33.15 4.76 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.468 1.772 . . . . 0.0 110.971 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -50.24 -32.15 15.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 110.263 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.514 ' N ' ' CD2' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -72.2 -61.26 1.86 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.334 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -40.31 -32.95 0.21 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 110.318 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -78.64 -57.28 3.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.428 ' O ' ' N ' ' A' ' 51' ' ' GLU . 67.9 t -52.98 -42.88 45.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.46 1.1 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -47.69 -53.0 16.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.408 ' CE ' ' O ' ' A' ' 62' ' ' LEU . 7.8 mtt -55.47 -17.54 5.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 111.0 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 48' ' ' VAL . 3.5 tp10 -99.41 -57.27 2.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 110.322 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.488 ' HB3' ' CE1' ' A' ' 53' ' ' TYR . 11.4 t0 -49.5 -38.46 30.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.246 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.546 ' N ' ' CD1' ' A' ' 53' ' ' TYR . 0.6 OUTLIER -109.16 32.95 4.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 111.018 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 53' ' ' TYR . 8.0 tttt -38.78 -30.98 0.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.437 ' N ' ' C ' ' A' ' 53' ' ' TYR . 4.5 m-20 -112.99 80.31 1.34 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.49 ' HB2' ' CB ' ' A' ' 59' ' ' PHE . 0.2 OUTLIER -107.99 120.41 47.06 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.09 . . . . 0.0 109.279 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -59.93 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.479 1.778 . . . . 0.0 110.954 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -96.81 -15.98 21.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.587 ' CD1' ' CE1' ' A' ' 61' ' ' PHE . 0.3 OUTLIER -88.37 28.18 1.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 111.024 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.467 ' CG2' ' O ' ' A' ' 56' ' ' ASN . 73.6 p -74.68 -12.43 60.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.437 1.086 . . . . 0.0 110.389 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.587 ' CE1' ' CD1' ' A' ' 59' ' ' PHE . 44.0 p90 -65.92 -13.39 59.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 111.021 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.462 HD21 ' CD2' ' A' ' 34' ' ' LEU . 9.3 mt -61.5 -59.54 5.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 8.8 p80 -73.89 -48.03 33.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.574 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -74.68 88.91 2.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.27 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.559 ' HD3' ' CZ ' ' A' ' 70' ' ' PHE . 1.0 OUTLIER -56.66 -54.16 49.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 27.3 m120 -83.49 65.3 8.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.133 . . . . 0.0 109.268 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.4 ' O ' ' HB3' ' A' ' 68' ' ' ARG . 8.0 t -108.47 -82.33 0.56 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 110.004 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.501 ' HG2' ' N ' ' A' ' 69' ' ' GLU . 0.1 OUTLIER 175.43 -30.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 110.315 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.501 ' N ' ' HG2' ' A' ' 68' ' ' ARG . 0.8 OUTLIER -92.46 -28.85 16.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 110.336 179.952 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.559 ' CZ ' ' HD3' ' A' ' 65' ' ' LYS . 87.6 t80 -63.8 -40.47 96.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 111.013 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.541 ' N ' ' CD1' ' A' ' 71' ' ' LEU . 0.0 OUTLIER -61.67 -49.67 75.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 109.294 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.494 ' HB2' ' CG2' ' A' ' 19' ' ' VAL . 42.9 t80 -61.49 -37.13 82.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 110.96 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.552 ' CD2' ' N ' ' A' ' 74' ' ' ARG . 1.6 t80 -62.4 -64.02 1.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 111.039 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.552 ' N ' ' CD2' ' A' ' 73' ' ' TYR . 0.0 OUTLIER -51.74 -28.56 15.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.26 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -64.61 -78.64 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 110.28 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.574 ' HG2' ' CD2' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -54.58 -23.43 16.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.508 HG23 ' CE1' ' A' ' 73' ' ' TYR . 1.0 OUTLIER -52.35 -24.03 5.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -80.35 -27.85 38.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 109.305 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 76' ' ' LYS . 8.0 tm-20 -71.04 -38.64 72.55 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 110.313 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.455 ' CD1' ' HB1' ' A' ' 39' ' ' ALA . 0.0 OUTLIER -81.34 -34.21 13.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.314 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 16.1 mmm-85 -49.78 -53.09 27.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.318 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.148 . . . . 0.0 109.294 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.542 ' HA ' ' CE2' ' A' ' 11' ' ' TYR . 4.1 pt-20 . . . . . 0 N--CA 1.452 -0.356 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -42.85 -28.34 0.24 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.626 ' CZ ' ' CB ' ' A' ' 82' ' ' LYS . 3.0 p90 -51.13 -20.57 1.54 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.157 . . . . 0.0 110.966 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.534 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 0.3 OUTLIER -100.34 -18.68 16.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 110.326 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.405 ' O ' HD11 ' A' ' 17' ' ' ILE . 0.7 OUTLIER -64.84 -11.05 33.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.143 . . . . 0.0 110.296 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.423 ' HA ' ' CD1' ' A' ' 17' ' ' ILE . 34.0 m95 -85.79 -37.99 18.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 107.975 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.503 ' CD1' ' O ' ' A' ' 75' ' ' ARG . 1.1 tp -57.72 -42.39 83.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -44.34 -39.84 4.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 110.273 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.423 ' CD1' ' HA ' ' A' ' 14' ' ' TRP . 0.5 OUTLIER -113.82 94.85 3.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.272 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 27.9 mmtm -62.58 174.04 1.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.303 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.499 ' CG1' ' HG3' ' A' ' 75' ' ' ARG . 0.9 OUTLIER -91.05 148.46 4.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.456 ' HA ' ' C ' ' A' ' 21' ' ' PRO . 0.4 OUTLIER -99.41 158.51 32.08 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.977 -179.956 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.456 ' C ' ' HA ' ' A' ' 20' ' ' SER . 18.5 Cg_endo -74.95 174.47 52.48 Favored 'Cis proline' 0 C--N 1.36 1.148 0 C-N-CA 121.029 -2.488 . . . . 0.0 111.006 -0.013 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 4.08 5.03 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.453 1.765 . . . . 0.0 110.996 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.14 -18.42 60.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 110.256 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.417 ' O ' ' N ' ' A' ' 28' ' ' ARG . . . -73.72 -12.31 80.71 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.554 1.159 . . . . 0.0 110.989 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.88 -17.93 11.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 0.785 . . . . 0.0 109.297 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -84.16 -30.49 25.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.1 . . . . 0.0 110.299 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.478 ' CG2' ' CG1' ' A' ' 30' ' ' VAL . 41.8 m -96.17 -20.86 18.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 110.408 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.564 ' HB2' ' CE2' ' A' ' 72' ' ' TYR . 0.0 OUTLIER -49.75 -23.48 1.83 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.309 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 84.2 mtt180 -75.43 -29.43 59.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.256 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.478 ' CG1' ' CG2' ' A' ' 27' ' ' THR . 9.5 p -95.31 -13.71 8.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 109.277 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.455 HG22 ' CD2' ' A' ' 72' ' ' TYR . 99.1 mt -82.26 -47.55 18.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 109.267 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -50.9 -29.04 10.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.321 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.5 tptp -56.9 -52.23 65.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.328 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.511 ' CD1' ' CD1' ' A' ' 62' ' ' LEU . 0.2 OUTLIER -63.84 -53.5 49.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.455 ' CB ' HG13 ' A' ' 77' ' ' VAL . . . -45.63 -46.8 14.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.145 . . . . 0.0 109.302 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.49 ' O ' ' CG ' ' A' ' 40' ' ' GLU . 28.3 ttt85 -68.19 -28.78 67.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.28 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.457 ' N ' ' O ' ' A' ' 34' ' ' LEU . 13.8 t80 -77.7 -43.21 31.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 110.979 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.457 HG22 ' CD2' ' A' ' 34' ' ' LEU . 22.2 t -66.18 -75.57 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.465 ' CB ' HD11 ' A' ' 80' ' ' ILE . . . -38.95 -30.81 0.05 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.49 ' CG ' ' O ' ' A' ' 36' ' ' ARG . 2.0 mm-40 -58.2 -67.39 0.35 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.105 . . . . 0.0 110.306 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -85.39 -53.12 3.18 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.481 1.113 . . . . 0.0 111.06 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 38' ' ' VAL . . . 140.57 -139.41 9.69 Favored Glycine 0 CA--C 1.53 0.971 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -32.04 5.8 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.473 1.775 . . . . 0.0 111.01 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -53.03 -33.48 52.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.282 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.554 ' N ' ' CD2' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -71.57 -57.73 4.14 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.487 1.117 . . . . 0.0 109.331 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.39 -32.55 1.38 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 110.292 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.0 mttt -74.78 -55.56 5.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.274 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.406 ' O ' ' N ' ' A' ' 51' ' ' GLU . 55.9 t -56.59 -45.46 82.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.26 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -47.09 -54.01 11.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.163 . . . . 0.0 109.277 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.8 -19.74 2.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 110.991 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' A' ' 48' ' ' VAL . 4.0 tp10 -96.07 -44.58 7.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.294 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.445 ' CG ' ' CE1' ' A' ' 53' ' ' TYR . 47.1 t0 -56.56 -43.31 79.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 0.0 109.321 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.445 ' CE1' ' CG ' ' A' ' 52' ' ' ASP . 2.6 m-85 -113.03 34.74 4.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 111.024 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 6.1 tttt -49.81 -38.96 36.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 109.315 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -119.88 82.67 1.92 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.47 ' O ' ' CG2' ' A' ' 60' ' ' THR . 0.4 OUTLIER -134.04 122.77 16.5 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -14.89 21.11 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.487 1.783 . . . . 0.0 110.993 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -98.92 -49.9 4.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.482 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 1.7 m-85 -83.72 37.56 0.59 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 111.005 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.47 ' CG2' ' O ' ' A' ' 56' ' ' ASN . 80.7 p -70.6 -13.72 62.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 110.401 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.531 ' CE2' HD13 ' A' ' 62' ' ' LEU . 47.3 p90 -68.79 -15.1 63.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.154 . . . . 0.0 111.033 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.531 HD13 ' CE2' ' A' ' 61' ' ' PHE . 0.5 OUTLIER -62.93 -48.6 78.22 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.448 1.092 . . . . 0.0 109.289 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.416 ' NE2' ' HA ' ' A' ' 60' ' ' THR . 11.4 p80 -86.44 -25.07 25.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.591 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -71.01 95.91 1.24 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.336 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.582 ' HA ' ' CE2' ' A' ' 70' ' ' PHE . 0.0 OUTLIER -89.88 47.64 1.48 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.297 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 13.4 p30 175.83 40.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.34 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 52.9 p -111.22 177.3 4.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.033 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.421 ' HG3' ' N ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -90.61 -18.43 25.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 110.298 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.422 ' CD ' ' HB3' ' A' ' 61' ' ' PHE . 1.4 pt-20 -96.02 -13.23 23.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 110.294 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.582 ' CE2' ' HA ' ' A' ' 65' ' ' LYS . 62.4 t80 -91.45 -24.59 19.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 111.005 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 43.9 mt -79.83 -53.72 6.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.248 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.564 ' CE2' ' HB2' ' A' ' 28' ' ' ARG . 41.2 t80 -53.69 -36.33 62.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 111.035 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.498 ' O ' ' CG1' ' A' ' 77' ' ' VAL . 0.1 OUTLIER -52.92 -44.41 66.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 110.998 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.444 ' O ' HG22 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -78.43 -11.97 59.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 110.289 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.503 ' O ' ' CD1' ' A' ' 15' ' ' LEU . 30.5 mmt-85 -87.19 -21.62 25.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.312 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.479 ' HD3' ' CD1' ' A' ' 15' ' ' LEU . 0.3 OUTLIER -91.12 -40.29 11.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.288 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.523 ' O ' ' CG ' ' A' ' 81' ' ' ARG . 5.2 m -50.85 -43.84 25.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.443 ' N ' HG23 ' A' ' 77' ' ' VAL . . . -56.65 -44.25 81.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.401 ' HB3' ' O ' ' A' ' 76' ' ' LYS . 20.4 tp10 -58.06 -60.82 3.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.46 1.1 . . . . 0.0 110.268 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.465 HD11 ' CB ' ' A' ' 39' ' ' ALA . 0.0 OUTLIER -62.58 -42.07 94.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.523 ' CG ' ' O ' ' A' ' 77' ' ' VAL . 5.5 mmm180 -38.42 -50.65 1.53 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.1 . . . . 0.0 110.3 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.626 ' CB ' ' CZ ' ' A' ' 11' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.312 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 t -113.33 67.37 0.67 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 0.733 . . . . 0.0 110.007 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.9 p -163.11 119.81 1.85 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 110.028 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -138.53 136.17 7.88 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.489 1.118 . . . . 0.0 110.977 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.2 t -129.31 108.48 10.34 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 0.745 . . . . 0.0 109.969 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 86.8 p -117.92 125.48 50.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.012 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 107.8 165.39 21.57 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.49 1.119 . . . . 0.0 110.97 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.413 ' N ' ' OD2' ' A' ' 10' ' ' ASP . 7.9 tt0 -152.3 -67.79 0.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 0.739 . . . . 0.0 110.27 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -52.8 -23.13 6.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 110.333 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.42 ' O ' ' N ' ' A' ' 13' ' ' GLN . 3.9 p30 -48.84 -24.21 1.36 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.142 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.571 ' CE2' ' HG3' ' A' ' 82' ' ' LYS . 0.9 OUTLIER -48.5 -31.29 6.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.098 . . . . 0.0 111.036 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.449 ' N ' ' CD1' ' A' ' 11' ' ' TYR . 6.2 pt-20 -88.66 -22.5 23.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.531 1.145 . . . . 0.0 110.296 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.42 ' N ' ' O ' ' A' ' 10' ' ' ASP . 0.2 OUTLIER -63.62 -11.71 27.38 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.49 1.119 . . . . 0.0 110.314 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 28.4 m95 -88.84 -43.67 11.05 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.496 ' CD1' ' O ' ' A' ' 75' ' ' ARG . 0.7 OUTLIER -48.98 -24.65 1.58 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 109.305 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -63.99 -32.45 74.0 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.557 1.161 . . . . 0.0 110.248 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -110.39 94.82 3.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.466 1.104 . . . . 0.0 109.275 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.3 mmmm -81.34 171.55 14.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.269 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.404 ' CG2' ' HB2' ' A' ' 72' ' ' TYR . 1.1 m -88.25 159.89 2.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.492 ' HA ' ' C ' ' A' ' 21' ' ' PRO . 55.2 p -110.51 150.55 41.83 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.132 . . . . 0.0 110.024 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.492 ' C ' ' HA ' ' A' ' 20' ' ' SER . 18.5 Cg_endo -74.93 174.41 52.75 Favored 'Cis proline' 0 C--N 1.36 1.141 0 C-N-CA 121.041 -2.483 . . . . 0.0 111.026 -0.043 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 4.26 4.9 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.477 1.777 . . . . 0.0 111.012 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -77.63 -14.53 59.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 110.278 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -56.36 -20.41 29.49 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.493 1.121 . . . . 0.0 110.995 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.01 -22.49 27.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 0.769 . . . . 0.0 109.359 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -69.37 -37.11 77.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 110.298 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.432 ' O ' ' N ' ' A' ' 30' ' ' VAL . 25.3 m -92.99 -15.04 26.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.397 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.419 ' HD2' ' N ' ' A' ' 29' ' ' ARG . 0.1 OUTLIER -45.14 -46.2 11.8 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.504 1.128 . . . . 0.0 110.294 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.419 ' N ' ' HD2' ' A' ' 28' ' ' ARG . 9.7 mtm-85 -53.83 -30.11 43.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 110.274 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.432 ' N ' ' O ' ' A' ' 27' ' ' THR . 42.3 t -91.3 -41.12 13.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.467 ' CG2' ' HA ' ' A' ' 73' ' ' TYR . 27.7 mt -58.27 -57.94 8.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 0.0 109.279 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -47.32 -30.15 2.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.308 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.4 tptt -62.58 -48.94 77.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.459 ' CD2' HD13 ' A' ' 62' ' ' LEU . 56.1 tp -58.79 -62.64 1.72 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.481 ' CB ' HG21 ' A' ' 77' ' ' VAL . . . -46.31 -55.88 6.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.275 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.435 ' O ' ' CB ' ' A' ' 40' ' ' GLU . 4.6 ttt180 -54.88 -23.61 19.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 110.268 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.436 ' N ' ' O ' ' A' ' 34' ' ' LEU . 10.0 t80 -93.81 -21.22 19.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 111.01 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.441 ' N ' ' O ' ' A' ' 34' ' ' LEU . 27.0 t -92.79 -75.69 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.446 ' CB ' HD12 ' A' ' 80' ' ' ILE . . . -42.0 -27.85 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.241 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.438 ' N ' ' C ' ' A' ' 38' ' ' VAL . 3.8 tp10 -67.37 -62.31 1.48 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.099 . . . . 0.0 110.268 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -83.4 -59.54 2.12 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.558 1.161 . . . . 0.0 111.046 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 38' ' ' VAL . . . 148.95 -146.4 15.79 Favored Glycine 0 CA--C 1.53 0.975 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -30.77 6.92 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.478 1.778 . . . . 0.0 111.001 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -51.31 -36.29 41.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 110.296 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.541 ' N ' ' CD2' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -70.35 -53.54 16.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 0.0 109.328 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.32 -23.76 2.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 110.296 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -84.33 -38.76 19.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.273 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 47.1 t -73.43 -37.63 51.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.327 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -55.12 -42.36 72.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.298 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 20.5 mtt -58.93 -22.97 60.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.557 1.16 . . . . 0.0 111.054 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -93.78 -40.93 9.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 110.294 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -53.22 -46.6 69.16 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.803 ' CD2' ' CD2' ' A' ' 59' ' ' PHE . 0.6 OUTLIER -108.4 28.39 8.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 111.01 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -40.18 -46.27 2.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -116.99 73.98 0.89 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -135.13 119.15 13.29 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.257 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.487 ' HA ' ' CG2' ' A' ' 60' ' ' THR . 18.4 Cg_endo -75.03 0.09 9.35 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.513 1.796 . . . . 0.0 111.021 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -99.74 -45.46 5.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.287 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.803 ' CD2' ' CD2' ' A' ' 53' ' ' TYR . 0.9 OUTLIER -88.01 29.3 0.95 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 110.979 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.487 ' CG2' ' HA ' ' A' ' 57' ' ' PRO . 61.1 p -63.53 -12.72 34.61 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.145 . . . . 0.0 110.315 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.572 ' CE2' HD12 ' A' ' 62' ' ' LEU . 39.5 p90 -74.14 -37.72 63.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 111.035 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.572 HD12 ' CE2' ' A' ' 61' ' ' PHE . 2.4 tp -40.19 -71.45 0.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.455 ' CD2' ' H ' ' A' ' 63' ' ' HIS . 5.1 m-70 -47.88 -72.03 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.557 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 63' ' ' HIS . 11.4 m-20 -40.35 150.29 0.06 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.425 ' HE2' ' CE2' ' A' ' 70' ' ' PHE . 2.7 mtpt -130.41 37.26 3.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.261 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -160.01 35.79 0.18 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 0.0 109.276 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.8 t -114.98 132.22 56.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 110.036 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.46 ' HG2' ' N ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -44.63 -31.78 1.26 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 110.332 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.46 ' N ' ' HG2' ' A' ' 68' ' ' ARG . 0.5 OUTLIER -63.15 -44.54 95.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 110.317 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.425 ' CE2' ' HE2' ' A' ' 65' ' ' LYS . 64.2 t80 -66.36 -16.37 64.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.098 . . . . 0.0 111.021 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 28.1 mt -86.75 -53.74 4.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.404 ' HB2' ' CG2' ' A' ' 19' ' ' VAL . 52.6 t80 -55.84 -33.61 64.66 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.513 1.133 . . . . 0.0 111.01 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.467 ' HA ' ' CG2' ' A' ' 31' ' ' ILE . 0.9 OUTLIER -64.58 -31.98 73.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 111.011 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.58 -34.92 25.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.284 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.496 ' O ' ' CD1' ' A' ' 15' ' ' LEU . 13.1 mmt180 -63.09 -27.79 69.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 110.327 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.461 ' O ' ' N ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -89.7 -37.7 14.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.368 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.481 HG21 ' CB ' ' A' ' 35' ' ' ALA . 1.5 t -48.89 -40.75 12.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.343 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.61 -29.77 69.43 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.457 1.098 . . . . 0.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 76' ' ' LYS . 1.2 tm-20 -72.49 -61.6 1.74 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.562 1.164 . . . . 0.0 110.311 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.446 HD12 ' CB ' ' A' ' 39' ' ' ALA . 0.0 OUTLIER -60.21 -35.48 62.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.461 1.1 . . . . 0.0 109.29 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.446 ' HG2' ' CB ' ' A' ' 39' ' ' ALA . 9.1 mmm180 -49.39 -60.69 2.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 110.325 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.571 ' HG3' ' CE2' ' A' ' 11' ' ' TYR . 0.1 OUTLIER -41.23 -58.36 1.83 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.423 1.077 . . . . 0.0 109.279 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -125.0 105.09 8.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 110.028 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -119.95 -86.31 0.97 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.454 1.096 . . . . 0.0 110.981 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 178.08 7.7 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.499 1.789 . . . . 0.0 111.041 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -144.62 89.59 2.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.008 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.1 p -169.23 -71.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.987 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.502 1.126 . . . . 0.0 111.012 179.974 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.8 p -165.12 131.15 2.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 0.761 . . . . 0.0 109.969 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.4 p -167.13 79.83 0.2 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 110.047 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 63.31 157.36 0.14 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.5 1.125 . . . . 0.0 111.024 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 94.3 p -169.14 150.82 4.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 0.754 . . . . 0.0 109.994 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 98.9 p -97.34 122.95 40.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.014 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 61.56 150.4 0.02 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.483 1.114 . . . . 0.0 111.011 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.403 ' C ' ' N ' ' A' ' 10' ' ' ASP . 8.1 mm-40 -104.29 62.82 0.74 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 0.768 . . . . 0.0 110.308 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -45.96 -25.1 0.49 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 110.338 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.419 ' O ' ' N ' ' A' ' 13' ' ' GLN . 0.7 OUTLIER -43.01 -32.43 0.65 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.336 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.58 ' C ' ' CD1' ' A' ' 11' ' ' TYR . 1.3 p90 -49.73 -21.56 1.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 111.022 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -100.64 -20.81 15.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.282 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.419 ' N ' ' O ' ' A' ' 10' ' ' ASP . 0.0 OUTLIER -64.19 -11.41 30.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.258 -179.956 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.499 ' HA ' ' CD1' ' A' ' 17' ' ' ILE . 36.3 m95 -88.51 -31.9 18.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 107.957 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.466 HD22 ' CG ' ' A' ' 79' ' ' GLU . 0.9 OUTLIER -60.62 -31.48 70.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -54.56 -30.45 54.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.098 . . . . 0.0 110.342 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.499 ' CD1' ' HA ' ' A' ' 14' ' ' TRP . 0.1 OUTLIER -112.33 94.98 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.267 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.94 173.18 3.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 109.293 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.468 ' CG2' ' HA ' ' A' ' 72' ' ' TYR . 78.9 t -97.21 141.03 16.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.269 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.486 ' HA ' ' C ' ' A' ' 21' ' ' PRO . 78.3 p -97.29 150.1 36.44 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.012 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.486 ' C ' ' HA ' ' A' ' 20' ' ' SER . 18.4 Cg_endo -75.01 174.32 53.34 Favored 'Cis proline' 0 C--N 1.36 1.141 0 C-N-CA 120.99 -2.504 . . . . 0.0 111.022 -0.022 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 4.4 4.76 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.423 1.749 . . . . 0.0 110.962 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -74.72 -31.32 61.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.438 1.086 . . . . 0.0 110.303 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -63.35 -13.67 50.79 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.541 1.151 . . . . 0.0 110.98 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.423 ' O ' ' CG ' ' A' ' 28' ' ' ARG . . . -53.49 -55.55 24.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 0.781 . . . . 0.0 109.343 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -57.88 -28.06 63.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 110.274 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 9.4 m -80.49 -15.04 57.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 110.402 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.426 ' CD ' ' CD ' ' A' ' 32' ' ' GLU . 0.5 OUTLIER -48.94 -29.88 5.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.274 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.413 ' N ' ' HG3' ' A' ' 28' ' ' ARG . 0.1 OUTLIER -64.78 -26.59 68.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 0.0 110.282 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 47.6 t -95.13 -21.41 5.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 109.269 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.518 HD11 ' CD2' ' A' ' 72' ' ' TYR . 38.6 mt -85.52 -55.83 6.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.426 ' CD ' ' CD ' ' A' ' 28' ' ' ARG . 88.5 mt-10 -42.24 -39.32 2.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 110.283 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.8 tppt? -58.61 -48.14 81.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.271 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.503 HD22 ' CE1' ' A' ' 73' ' ' TYR . 0.6 OUTLIER -52.83 -46.21 67.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 0.0 109.328 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.439 ' CB ' HG21 ' A' ' 77' ' ' VAL . . . -70.49 -61.05 1.92 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.161 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.494 ' O ' ' CG ' ' A' ' 40' ' ' GLU . 1.6 ttt85 -46.03 -27.3 0.9 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.282 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 18.0 t80 -88.55 -46.71 8.87 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 111.016 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.424 ' C ' ' N ' ' A' ' 40' ' ' GLU . 5.1 t -69.02 -72.01 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.451 ' CB ' ' HG2' ' A' ' 81' ' ' ARG . . . -39.24 -31.82 0.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.494 ' CG ' ' O ' ' A' ' 36' ' ' ARG . 5.7 mm-40 -62.91 -66.09 0.59 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 110.303 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -77.97 -66.65 1.73 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.526 1.141 . . . . 0.0 110.984 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 155.77 -144.29 10.76 Favored Glycine 0 CA--C 1.531 1.041 0 N-CA-C 110.956 -0.857 . . . . 0.0 110.956 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -33.43 4.6 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.5 1.79 . . . . 0.0 111.033 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.44 -29.07 14.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.337 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.566 ' N ' ' CD2' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -77.69 -38.74 46.77 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.49 -40.58 95.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 110.314 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.4 mttt -68.94 -40.68 78.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 70.0 t -70.32 -35.87 64.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.122 . . . . 0.0 109.333 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -55.25 -43.53 74.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 6.4 mtt -65.9 -12.57 55.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 110.97 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -93.9 -42.13 9.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.337 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 39.0 t0 -66.18 -38.81 88.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.277 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.793 ' CD2' ' CD2' ' A' ' 59' ' ' PHE . 4.7 m-85 -107.53 29.14 7.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.989 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -44.78 -57.4 3.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.095 . . . . 0.0 109.332 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -114.93 82.2 1.69 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.44 1.088 . . . . 0.0 109.281 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -135.08 120.09 13.82 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 109.28 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.48 ' HA ' ' CG2' ' A' ' 60' ' ' THR . 18.3 Cg_endo -75.0 -1.4 11.18 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.531 1.806 . . . . 0.0 110.994 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -99.6 -46.01 5.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.443 1.089 . . . . 0.0 109.287 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.793 ' CD2' ' CD2' ' A' ' 53' ' ' TYR . 0.8 OUTLIER -87.93 28.47 1.03 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 111.013 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.48 ' CG2' ' HA ' ' A' ' 57' ' ' PRO . 60.3 p -60.99 -13.68 17.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.16 . . . . 0.0 110.406 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.571 ' CE2' HD13 ' A' ' 62' ' ' LEU . 40.0 p90 -73.81 -36.74 65.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 111.01 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.571 HD13 ' CE2' ' A' ' 61' ' ' PHE . 4.2 tp -46.7 -71.88 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 109.28 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.479 ' H ' ' CD2' ' A' ' 63' ' ' HIS . 4.0 m-70 -50.92 -60.46 3.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.565 1.165 . . . . 0.0 109.625 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.99 75.36 0.92 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.346 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.543 ' HG2' ' CE1' ' A' ' 70' ' ' PHE . 26.2 mtpt -44.7 -41.25 6.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 109.288 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -88.37 54.05 2.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 109.324 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 8.4 p -100.68 -81.46 0.47 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 110.046 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.487 ' HG2' ' N ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER 174.68 -30.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 110.272 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.487 ' N ' ' HG2' ' A' ' 68' ' ' ARG . 0.4 OUTLIER -88.96 -32.54 17.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.3 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.543 ' CE1' ' HG2' ' A' ' 65' ' ' LYS . 58.4 t80 -63.08 -29.93 71.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 110.945 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.467 ' CD2' ' N ' ' A' ' 71' ' ' LEU . 1.3 mm? -72.88 -51.62 17.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.518 ' CD2' HD11 ' A' ' 31' ' ' ILE . 91.7 t80 -57.81 -35.4 70.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.097 . . . . 0.0 111.026 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.503 ' CE1' HD22 ' A' ' 34' ' ' LEU . 2.3 t80 -61.08 -45.45 94.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 111.036 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.33 -29.91 70.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.1 . . . . 0.0 110.255 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 44.3 mmt-85 -67.49 -46.48 72.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 110.301 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.443 ' O ' ' N ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -73.27 -37.75 66.19 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.56 1.163 . . . . 0.0 109.285 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.494 ' O ' ' CG ' ' A' ' 81' ' ' ARG . 2.0 t -49.38 -40.56 14.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.133 . . . . 0.0 109.285 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -68.97 -28.36 66.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.466 ' CG ' HD22 ' A' ' 15' ' ' LEU . 18.5 tp10 -75.97 -54.37 6.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.34 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.438 ' CD1' ' HB2' ' A' ' 39' ' ' ALA . 0.0 OUTLIER -65.95 -40.03 86.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.323 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.494 ' CG ' ' O ' ' A' ' 77' ' ' VAL . 2.7 mmm180 -44.67 -68.51 0.19 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 110.315 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.569 ' HG3' ' CD2' ' A' ' 11' ' ' TYR . 0.4 OUTLIER -48.1 139.69 7.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 27.5 t -163.03 -43.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.995 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -164.31 -86.57 0.06 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.451 1.094 . . . . 0.0 110.976 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 174.74 12.27 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.476 1.777 . . . . 0.0 111.002 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -170.51 153.34 4.21 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 109.977 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 46.5 94.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.017 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 O-C-N 124.516 1.135 . . . . 0.0 110.986 179.996 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.4 p -132.69 165.67 23.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 0.735 . . . . 0.0 109.994 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -97.37 171.53 8.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 110.008 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.61 -155.21 5.17 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.463 1.102 . . . . 0.0 111.016 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 179.07 170.74 0.9 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.433 0.725 . . . . 0.0 110.041 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.7 t -70.13 144.98 51.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.992 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 67.15 149.03 0.12 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.522 1.139 . . . . 0.0 111.025 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 10' ' ' ASP . 1.5 mt-10 -147.22 65.32 1.15 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 0.78 . . . . 0.0 110.277 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.5 ' O ' ' CG ' ' A' ' 12' ' ' GLU . 13.8 mt-10 -39.1 -29.41 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.115 . . . . 0.0 110.304 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.491 ' O ' ' N ' ' A' ' 13' ' ' GLN . 36.7 m-20 -40.99 -55.35 2.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.319 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.577 ' CE1' ' HB3' ' A' ' 12' ' ' GLU . 0.2 OUTLIER -38.08 -29.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 111.029 179.948 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.577 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 2.9 pt-20 -109.28 -23.66 11.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 110.3 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.491 ' N ' ' O ' ' A' ' 10' ' ' ASP . 0.0 OUTLIER -74.26 -15.07 60.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 110.271 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.473 ' HA ' ' CD1' ' A' ' 17' ' ' ILE . 24.5 m95 -85.01 -24.34 28.26 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 tp -66.33 -29.08 69.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -55.49 -33.08 63.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 110.286 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.473 ' CD1' ' HA ' ' A' ' 14' ' ' TRP . 0.1 OUTLIER -104.72 94.81 3.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.99 170.55 9.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.447 HG21 ' N ' ' A' ' 72' ' ' TYR . 25.5 t -102.16 119.0 49.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.563 1.165 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.48 ' HA ' ' C ' ' A' ' 21' ' ' PRO . 3.6 p -71.5 150.54 93.8 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 110.01 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.48 ' C ' ' HA ' ' A' ' 20' ' ' SER . 18.3 Cg_endo -75.03 174.41 52.83 Favored 'Cis proline' 0 C--N 1.36 1.15 0 C-N-CA 121.015 -2.494 . . . . 0.0 110.989 0.024 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 4.32 4.85 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.513 1.796 . . . . 0.0 110.977 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -74.11 -19.14 60.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.342 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -57.48 -17.84 27.61 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.466 1.104 . . . . 0.0 111.021 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -47.21 -30.15 2.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 0.749 . . . . 0.0 109.338 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -85.71 -63.09 1.38 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.295 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.512 ' CG2' ' CG1' ' A' ' 30' ' ' VAL . 17.8 m -49.34 -23.35 1.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.395 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.3 tmm_? -47.13 -26.41 1.11 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 0.0 110.317 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 93.7 mtt180 -71.67 -37.16 70.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.448 1.092 . . . . 0.0 110.298 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.566 HG23 ' CE2' ' A' ' 59' ' ' PHE . 11.9 p -82.76 -13.96 12.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.465 ' CG2' ' HA ' ' A' ' 73' ' ' TYR . 19.7 mt -93.53 -52.74 9.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.127 . . . . 0.0 109.234 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.441 ' OE2' ' NZ ' ' A' ' 76' ' ' LYS . 1.8 mt-10 -48.81 -35.35 14.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 110.322 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.0 mmtp -65.22 -45.51 84.43 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.488 1.117 . . . . 0.0 109.298 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.472 ' CD2' HG21 ' A' ' 38' ' ' VAL . 0.2 OUTLIER -64.27 -47.18 80.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.471 ' CB ' HG22 ' A' ' 77' ' ' VAL . . . -65.41 -47.61 75.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.434 ' O ' ' CB ' ' A' ' 40' ' ' GLU . 0.8 OUTLIER -55.29 -42.69 73.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.282 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.418 ' CZ ' ' CD1' ' A' ' 45' ' ' LEU . 34.9 t80 -73.26 -33.01 65.03 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.536 1.147 . . . . 0.0 110.994 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.472 HG21 ' CD2' ' A' ' 34' ' ' LEU . 2.5 t -73.25 -76.02 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.276 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.468 ' HB2' ' CD1' ' A' ' 80' ' ' ILE . . . -42.03 -28.53 0.18 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.44 ' N ' ' C ' ' A' ' 38' ' ' VAL . 2.9 tp10 -59.89 -57.86 11.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.11 . . . . 0.0 110.267 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.402 ' N ' ' HG3' ' A' ' 40' ' ' GLU . . . -91.24 -50.08 2.89 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.542 1.151 . . . . 0.0 111.01 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 38' ' ' VAL . . . 140.85 -148.05 19.69 Favored Glycine 0 CA--C 1.531 1.058 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -25.75 11.51 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.544 1.813 . . . . 0.0 110.952 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.479 ' O ' ' CG2' ' A' ' 48' ' ' VAL . 1.5 tm-20 -56.31 -32.68 64.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.297 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.564 ' N ' ' CD2' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -74.82 -48.66 24.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.092 . . . . 0.0 109.302 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 54.7 tt0 -49.66 -52.9 27.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.28 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.7 mtmt -59.8 -56.21 24.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 109.327 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.479 ' CG2' ' O ' ' A' ' 44' ' ' GLU . 76.3 t -50.73 -44.7 26.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.112 . . . . 0.0 109.32 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.51 ' HB3' ' CE2' ' A' ' 53' ' ' TYR . . . -44.54 -57.91 3.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.328 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 5.0 mtt -46.26 -23.85 0.4 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 111.033 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -97.82 -54.49 3.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.093 . . . . 0.0 110.346 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.532 ' HB3' ' CD1' ' A' ' 53' ' ' TYR . 1.1 m-20 -48.88 -40.06 28.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.113 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.565 ' N ' ' CD1' ' A' ' 53' ' ' TYR . 1.3 m-30 -103.21 28.17 6.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 111.038 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.457 ' C ' ' O ' ' A' ' 53' ' ' TYR . 0.5 OUTLIER -36.33 -40.4 0.23 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.262 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -106.47 77.12 1.18 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 109.314 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.49 ' HB2' ' CB ' ' A' ' 59' ' ' PHE . 0.2 OUTLIER -104.09 119.65 53.55 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.098 . . . . 0.0 109.284 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -58.74 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.486 1.782 . . . . 0.0 111.015 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -99.54 -14.77 18.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 0.0 109.26 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.57 ' CD1' ' CE1' ' A' ' 61' ' ' PHE . 0.2 OUTLIER -87.91 29.72 0.9 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 111.004 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.407 ' CG2' ' O ' ' A' ' 56' ' ' ASN . 74.4 p -77.48 -16.92 58.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.575 1.172 . . . . 0.0 110.406 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.57 ' CE1' ' CD1' ' A' ' 59' ' ' PHE . 46.7 p90 -57.34 -22.66 43.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.145 . . . . 0.0 110.965 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.466 HD21 ' CD1' ' A' ' 34' ' ' LEU . 8.0 mt -55.24 -65.35 0.6 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 10.3 m-70 -53.03 -70.62 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.565 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.403 ' O ' ' O ' ' A' ' 61' ' ' PHE . 1.0 OUTLIER -59.28 110.45 1.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.285 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.568 ' HG3' ' CZ ' ' A' ' 70' ' ' PHE . 0.0 OUTLIER -67.8 -66.76 0.52 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 109.295 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -70.15 67.37 0.3 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.12 . . . . 0.0 109.335 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.408 ' N ' ' O ' ' A' ' 65' ' ' LYS . 30.4 t -110.11 -86.01 0.54 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.989 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.478 ' HG2' ' N ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER 174.21 -30.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.332 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.523 ' HB3' ' CG ' ' A' ' 61' ' ' PHE . 0.5 OUTLIER -91.79 -12.26 34.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 110.285 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.568 ' CZ ' ' HG3' ' A' ' 65' ' ' LYS . 47.9 t80 -91.57 -22.2 20.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 111.013 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.477 ' N ' ' CD1' ' A' ' 71' ' ' LEU . 2.9 mp -74.16 -53.38 9.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 109.258 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.447 ' N ' HG21 ' A' ' 19' ' ' VAL . 64.2 t80 -63.72 -36.53 84.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 111.012 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.465 ' HA ' ' CG2' ' A' ' 31' ' ' ILE . 7.8 t80 -50.92 -62.35 1.67 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 110.942 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.56 -40.59 62.74 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.119 . . . . 0.0 110.265 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 48.6 mmt-85 -58.34 -61.91 2.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.305 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.445 ' O ' ' N ' ' A' ' 79' ' ' GLU . 3.1 mmtt -59.44 -37.33 77.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.471 HG22 ' CB ' ' A' ' 35' ' ' ALA . 2.7 t -48.7 -38.99 10.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.277 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -68.13 -31.95 71.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 76' ' ' LYS . 14.2 tp10 -70.8 -58.51 3.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.345 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.468 ' CD1' ' HB2' ' A' ' 39' ' ' ALA . 0.0 OUTLIER -59.72 -40.18 81.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 109.328 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 7.1 mmm-85 -43.0 -61.46 1.29 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.288 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.08 129.13 38.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.14 86.47 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.962 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 37.84 70.76 0.25 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.555 1.159 . . . . 0.0 111.015 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 163.27 35.73 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.49 1.784 . . . . 0.0 110.984 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.09 85.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 110.0 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 90.3 p 39.98 90.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 110.001 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.432 1.083 . . . . 0.0 111.024 -179.995 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.3 m -128.31 135.32 49.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 0.771 . . . . 0.0 110.025 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 m 179.54 90.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 110.025 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 123.25 60.01 0.2 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.583 1.177 . . . . 0.0 111.015 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 44.96 92.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 0.768 . . . . 0.0 110.02 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 m -112.57 116.09 29.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.11 . . . . 0.0 110.004 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 149.97 -26.77 1.15 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.517 1.136 . . . . 0.0 110.984 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -120.81 -58.82 1.79 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 0.766 . . . . 0.0 110.293 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.437 ' HA ' ' CD2' ' A' ' 11' ' ' TYR . 0.3 OUTLIER -47.4 -24.33 0.78 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 110.304 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.463 ' O ' ' N ' ' A' ' 13' ' ' GLN . 5.2 m-20 -40.58 -34.05 0.33 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 109.317 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.57 ' CE1' ' HB3' ' A' ' 12' ' ' GLU . 1.9 p90 -42.67 -24.31 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.972 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.57 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 2.6 pt-20 -106.08 -27.13 11.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.1 . . . . 0.0 110.312 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.463 ' N ' ' O ' ' A' ' 10' ' ' ASP . 3.7 pt20 -64.58 -16.91 63.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 110.314 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 26.1 m95 -85.52 -32.7 22.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 108.023 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -55.44 -19.31 8.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.153 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -68.32 -36.94 80.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.115 . . . . 0.0 110.307 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -109.65 95.05 3.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.28 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.0 mmtm -68.15 -179.68 1.32 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.447 HG22 ' N ' ' A' ' 72' ' ' TYR . 56.0 t -109.0 140.32 28.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.332 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.478 ' CB ' ' HA ' ' A' ' 21' ' ' PRO . 0.6 OUTLIER -97.49 160.36 28.95 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.426 1.079 . . . . 0.0 109.991 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.478 ' HA ' ' CB ' ' A' ' 20' ' ' SER . 18.2 Cg_endo -75.04 174.49 52.42 Favored 'Cis proline' 0 C--N 1.36 1.163 0 C-N-CA 121.0 -2.5 . . . . 0.0 111.006 0.022 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 4.18 4.95 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.514 1.797 . . . . 0.0 110.972 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -73.53 -37.85 65.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.277 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.418 ' O ' ' N ' ' A' ' 27' ' ' THR . . . -55.98 -16.8 14.08 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.485 1.116 . . . . 0.0 110.991 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -44.22 -51.4 8.26 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 0.757 . . . . 0.0 109.33 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -69.25 -28.6 66.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 110.309 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.418 ' N ' ' O ' ' A' ' 24' ' ' GLY . 88.3 m -75.39 -14.91 60.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.389 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.44 ' O ' ' N ' ' A' ' 32' ' ' GLU . 0.0 OUTLIER -48.02 -33.73 8.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 110.304 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.45 -28.91 69.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.556 1.16 . . . . 0.0 110.318 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 95.9 t -94.46 -28.17 4.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.44 1.087 . . . . 0.0 109.285 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.425 ' O ' ' N ' ' A' ' 34' ' ' LEU . 30.6 mt -79.02 -65.74 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -40.79 -37.59 0.79 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.323 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.8 mmmt -56.38 -49.66 73.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 109.273 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.425 ' N ' ' O ' ' A' ' 31' ' ' ILE . 33.4 tp -60.03 -19.79 54.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.474 ' CB ' HG21 ' A' ' 77' ' ' VAL . . . -89.34 -57.02 3.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.273 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.471 ' O ' ' CG ' ' A' ' 40' ' ' GLU . 18.9 ttt-85 -56.92 -18.88 15.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 110.267 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 53.0 t80 -92.96 -42.64 9.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 111.011 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.415 ' O ' ' C ' ' A' ' 39' ' ' ALA . 6.8 t -73.84 -73.61 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.285 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.435 ' HB1' ' CD1' ' A' ' 80' ' ' ILE . . . -39.2 -32.74 0.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.471 ' CG ' ' O ' ' A' ' 36' ' ' ARG . 3.8 mm-40 -57.52 -66.33 0.48 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.44 1.087 . . . . 0.0 110.269 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -75.91 -61.11 2.96 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.452 1.095 . . . . 0.0 111.03 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 152.56 -145.05 12.24 Favored Glycine 0 CA--C 1.53 0.986 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.476 ' O ' ' N ' ' A' ' 46' ' ' GLU . 18.1 Cg_endo -75.04 -36.09 2.73 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.505 1.792 . . . . 0.0 110.972 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -50.2 -31.55 14.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 110.303 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.571 ' N ' ' CD2' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -72.57 -27.03 61.94 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 0.0 109.293 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.476 ' N ' ' O ' ' A' ' 43' ' ' PRO . 61.7 tt0 -80.01 -25.52 40.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 0.0 110.272 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.534 ' N ' ' CD ' ' A' ' 47' ' ' LYS . 0.1 OUTLIER -82.71 -29.65 29.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 109.277 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 41.0 t -83.01 -36.28 12.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.095 . . . . 0.0 109.335 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.82 -43.01 90.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.434 1.084 . . . . 0.0 109.275 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.33 -20.53 55.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 110.961 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -97.78 -50.37 4.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.275 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -48.5 -46.32 38.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.497 ' CD2' ' CD2' ' A' ' 59' ' ' PHE . 2.5 m-85 -104.17 28.64 6.62 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.143 . . . . 0.0 111.051 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -46.43 -44.99 17.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -120.62 82.01 1.85 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.318 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -135.07 119.59 13.57 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.523 1.14 . . . . 0.0 109.268 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.441 ' HA ' ' CG2' ' A' ' 60' ' ' THR . 18.4 Cg_endo -74.98 -4.06 14.85 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.503 1.791 . . . . 0.0 111.033 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -100.04 -49.44 4.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 0.0 109.283 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.53 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 2.1 m-85 -86.88 32.29 0.67 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.101 . . . . 0.0 111.006 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.441 ' CG2' ' HA ' ' A' ' 57' ' ' PRO . 59.6 p -64.14 -11.93 35.06 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.129 . . . . 0.0 110.369 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.53 ' CE1' ' HA ' ' A' ' 59' ' ' PHE . 45.2 p90 -73.3 -27.8 61.74 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 110.97 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.414 ' C ' ' O ' ' A' ' 61' ' ' PHE . 0.6 OUTLIER -39.65 -70.6 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -74.49 58.6 0.77 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.133 . . . . 0.0 109.58 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -165.13 107.22 0.81 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.344 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.575 ' HA ' ' CD2' ' A' ' 70' ' ' PHE . 3.7 mtpt -101.01 36.99 1.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 109.26 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 28.2 m-80 -173.15 47.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 13.5 t -111.49 -83.85 0.57 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.987 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.462 ' HG2' ' N ' ' A' ' 69' ' ' GLU . 0.1 OUTLIER 174.46 -30.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 110.356 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.526 ' HB3' ' CG ' ' A' ' 61' ' ' PHE . 1.0 OUTLIER -87.61 -15.55 37.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 110.323 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.575 ' CD2' ' HA ' ' A' ' 65' ' ' LYS . 78.1 t80 -93.17 -31.6 14.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 110.98 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.495 ' N ' ' CD1' ' A' ' 71' ' ' LEU . 2.8 mp -71.82 -51.82 20.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.447 ' N ' HG22 ' A' ' 19' ' ' VAL . 53.1 t80 -60.18 -33.78 72.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 111.01 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.56 ' CE1' HG22 ' A' ' 77' ' ' VAL . 0.4 OUTLIER -64.24 -55.3 22.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 111.002 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -59.39 -25.41 64.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 110.354 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -66.48 -78.87 0.05 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.559 1.162 . . . . 0.0 110.317 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -44.32 -34.09 1.83 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.091 . . . . 0.0 109.305 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.56 HG22 ' CE1' ' A' ' 73' ' ' TYR . 2.2 t -46.39 -42.87 5.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.58 -35.85 80.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.46 1.1 . . . . 0.0 109.293 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 76' ' ' LYS . 5.8 tp10 -68.84 -58.79 3.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 110.314 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.448 ' C ' ' CD1' ' A' ' 80' ' ' ILE . 0.0 OUTLIER -60.61 -39.87 82.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.27 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.405 ' HG2' ' CB ' ' A' ' 39' ' ' ALA . 4.4 mmm180 -46.08 -60.76 2.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 110.269 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.552 ' CD ' ' CD2' ' A' ' 11' ' ' TYR . 1.0 OUTLIER -51.43 158.7 0.82 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.483 ' CB ' ' O ' ' A' ' 82' ' ' LYS . 2.2 t 83.75 51.12 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.567 1.167 . . . . 0.0 110.034 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 41.09 90.74 0.01 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.469 1.105 . . . . 0.0 111.003 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 69.89 5.37 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.485 1.782 . . . . 0.0 111.043 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 60.77 89.14 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 110.001 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 20.9 m 55.45 97.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.15 . . . . 0.0 109.993 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 O-C-N 124.479 1.112 . . . . 0.0 111.021 179.985 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 111.034 -0.827 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.0 m 64.43 161.92 0.12 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.471 0.747 . . . . 0.0 110.004 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -169.51 168.75 9.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.962 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -161.14 130.47 2.36 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.505 1.128 . . . . 0.0 111.039 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.4 m -108.76 73.63 0.87 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 0.74 . . . . 0.0 110.004 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.8 t -111.6 95.53 5.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 0.0 110.007 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -46.14 102.45 0.04 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.509 1.13 . . . . 0.0 111.009 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -124.83 165.42 18.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 0.778 . . . . 0.0 110.346 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -47.37 -24.17 0.73 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.139 . . . . 0.0 110.289 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.473 ' O ' ' N ' ' A' ' 13' ' ' GLN . 15.7 m-20 -50.98 -30.67 15.66 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.532 1.145 . . . . 0.0 109.284 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.516 ' CE1' ' HB2' ' A' ' 12' ' ' GLU . 2.6 p90 -40.76 -25.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.57 1.169 . . . . 0.0 110.999 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.516 ' HB2' ' CE1' ' A' ' 11' ' ' TYR . 19.5 tt0 -106.94 -27.22 10.82 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.116 . . . . 0.0 110.32 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.473 ' N ' ' O ' ' A' ' 10' ' ' ASP . 4.2 pt20 -63.5 -11.81 26.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 110.284 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 21.7 m95 -88.63 -18.51 27.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 107.985 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.499 HD13 ' CD ' ' A' ' 76' ' ' LYS . 1.1 tp -72.98 -30.29 63.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -53.6 -37.06 62.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.269 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -100.34 94.8 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.6 157.44 32.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.436 ' CG2' ' HG3' ' A' ' 75' ' ' ARG . 54.4 t -87.17 116.36 29.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.329 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.481 ' HA ' ' C ' ' A' ' 21' ' ' PRO . 5.1 p -72.51 150.73 91.5 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.101 . . . . 0.0 109.992 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.481 ' C ' ' HA ' ' A' ' 20' ' ' SER . 18.3 Cg_endo -75.0 174.37 53.04 Favored 'Cis proline' 0 C--N 1.36 1.135 0 C-N-CA 121.01 -2.496 . . . . 0.0 110.983 0.028 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 4.39 4.79 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.526 1.803 . . . . 0.0 110.962 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -69.21 -31.57 70.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 110.291 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -58.12 -15.4 21.83 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.493 1.121 . . . . 0.0 111.017 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -41.96 -35.87 0.97 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 0.756 . . . . 0.0 109.307 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.401 ' C ' ' N ' ' A' ' 28' ' ' ARG . 1.2 tp10 -78.96 -62.39 1.71 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 110.295 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.472 HG23 ' CG1' ' A' ' 30' ' ' VAL . 7.0 m -44.75 -25.62 0.31 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 110.429 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.444 ' C ' ' CD ' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -47.23 -26.44 1.19 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 110.291 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.4 mtt180 -75.12 -35.19 61.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.437 1.086 . . . . 0.0 110.299 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.472 ' CG1' HG23 ' A' ' 27' ' ' THR . 5.3 p -86.85 -21.53 7.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.43 HD13 ' CG ' ' A' ' 69' ' ' GLU . 25.7 mt -77.77 -55.68 9.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.486 ' O ' ' CB ' ' A' ' 36' ' ' ARG . 72.2 mt-10 -43.77 -26.1 0.23 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 110.288 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.7 mmtp -66.77 -48.67 68.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.457 ' CD2' HG23 ' A' ' 38' ' ' VAL . 1.5 tt -55.29 -51.63 66.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.464 ' CB ' HG21 ' A' ' 77' ' ' VAL . . . -67.51 -58.85 3.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 109.299 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.486 ' CB ' ' O ' ' A' ' 32' ' ' GLU . 33.6 ttm180 -46.74 -26.29 0.91 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.335 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 38.1 t80 -93.82 -26.31 16.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.978 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.457 HG23 ' CD2' ' A' ' 34' ' ' LEU . 3.4 t -87.86 -74.9 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.107 . . . . 0.0 109.267 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.449 ' HB2' ' CD1' ' A' ' 80' ' ' ILE . . . -41.21 -28.49 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.439 ' N ' ' C ' ' A' ' 38' ' ' VAL . 1.1 tt0 -66.94 -57.01 7.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 110.281 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -84.97 -59.18 2.0 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.477 1.111 . . . . 0.0 110.994 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 38' ' ' VAL . . . 147.76 -146.95 17.21 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 111.049 -0.821 . . . . 0.0 111.049 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -33.77 4.31 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.487 1.783 . . . . 0.0 110.961 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -50.15 -32.14 15.34 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.473 1.108 . . . . 0.0 110.34 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.525 ' N ' ' CD2' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -73.17 -58.89 2.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.298 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -44.21 -26.35 0.31 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 110.353 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.13 -45.14 15.56 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.427 ' N ' ' O ' ' A' ' 45' ' ' LEU . 52.2 t -67.87 -38.34 79.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.06 -49.57 75.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.09 . . . . 0.0 109.301 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.23 -23.58 3.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 111.028 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -99.15 -51.73 3.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.318 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.55 ' HB3' ' CD1' ' A' ' 53' ' ' TYR . 4.2 t0 -43.54 -47.73 7.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.296 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.55 ' CD1' ' HB3' ' A' ' 52' ' ' ASP . 0.9 OUTLIER -100.4 27.78 5.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.972 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -49.08 -37.01 19.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.321 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -116.34 81.19 1.57 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.265 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.406 ' O ' ' CG2' ' A' ' 60' ' ' THR . 0.8 OUTLIER -135.05 119.36 13.48 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.118 . . . . 0.0 109.351 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -17.67 19.34 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.505 1.792 . . . . 0.0 110.968 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -96.95 -45.79 6.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.307 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.486 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 0.7 OUTLIER -85.54 36.63 0.66 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.992 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.406 ' CG2' ' O ' ' A' ' 56' ' ' ASN . 67.4 p -71.55 -11.86 61.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 110.38 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.527 ' CG ' ' HB3' ' A' ' 69' ' ' GLU . 45.5 p90 -71.43 -23.12 61.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 110.979 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -43.93 -71.27 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 109.303 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 -47.1 -60.87 2.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.612 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -54.28 157.34 2.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 109.325 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.566 ' HA ' ' CD2' ' A' ' 70' ' ' PHE . 32.0 mttt -141.06 55.92 1.56 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -174.23 37.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 5.9 t -116.16 158.96 22.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 109.979 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.94 -15.66 63.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.3 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.527 ' HB3' ' CG ' ' A' ' 61' ' ' PHE . 4.4 tt0 -87.8 -45.6 10.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.286 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.566 ' CD2' ' HA ' ' A' ' 65' ' ' LYS . 73.0 t80 -71.61 -21.63 61.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 111.026 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 46.1 mt -83.12 -62.81 1.49 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.28 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.421 ' N ' HG23 ' A' ' 19' ' ' VAL . 55.1 t80 -49.57 -28.11 5.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 110.98 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.574 ' CD1' ' C ' ' A' ' 73' ' ' TYR . 0.2 OUTLIER -58.89 -54.46 46.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 111.046 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 5.0 mtm180 -68.26 -32.33 72.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.431 1.082 . . . . 0.0 110.266 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.436 ' HG3' ' CG2' ' A' ' 19' ' ' VAL . 23.7 mmt85 -61.27 -44.27 97.51 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.133 . . . . 0.0 110.296 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.499 ' CD ' HD13 ' A' ' 15' ' ' LEU . 5.2 mmmt -77.3 -32.15 55.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.574 HG22 ' CE1' ' A' ' 73' ' ' TYR . 2.7 t -47.67 -39.66 7.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -66.12 -34.05 77.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 76' ' ' LYS . 23.4 tp10 -69.41 -56.8 6.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 110.315 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.449 ' CD1' ' HB2' ' A' ' 39' ' ' ALA . 0.0 OUTLIER -64.56 -39.85 87.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 109.287 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.462 ' CG ' ' O ' ' A' ' 77' ' ' VAL . 2.8 mmm180 -43.55 -58.59 2.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 110.306 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.46 ' HG3' ' CE2' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -40.14 -76.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.285 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -127.33 -74.57 0.59 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 110.03 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 69.03 74.81 0.58 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.474 1.109 . . . . 0.0 110.993 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -87.57 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.543 1.812 . . . . 0.0 111.013 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 175.87 99.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 109.996 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 7.9 t 69.73 121.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.016 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 O-C-N 124.534 1.146 . . . . 0.0 110.987 179.987 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.7 p -175.13 155.09 1.89 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 0.74 . . . . 0.0 109.997 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.7 p -156.58 130.66 8.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.018 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.26 171.55 38.16 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.528 1.142 . . . . 0.0 110.956 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 179.6 166.9 1.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 0.781 . . . . 0.0 109.999 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.5 p -118.98 121.56 40.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.985 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 152.64 -68.59 0.31 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.478 1.111 . . . . 0.0 111.008 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -54.45 154.96 4.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 0.745 . . . . 0.0 110.324 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.549 ' HA ' ' CD2' ' A' ' 11' ' ' TYR . 2.8 mt-10 -50.9 -21.04 1.52 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 110.256 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.466 ' O ' ' N ' ' A' ' 13' ' ' GLN . 16.6 m-20 -52.98 -20.4 3.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.585 ' CE1' ' HB3' ' A' ' 12' ' ' GLU . 4.2 p90 -48.01 -27.34 2.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 111.04 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.585 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 0.1 OUTLIER -89.36 -24.37 21.99 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.443 1.089 . . . . 0.0 110.259 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.466 ' N ' ' O ' ' A' ' 10' ' ' ASP . 1.2 pp0? -58.36 -16.31 14.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.353 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.406 ' HA ' ' CD1' ' A' ' 17' ' ' ILE . 25.0 m95 -74.79 -20.74 59.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 108.001 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.459 HD13 ' CG ' ' A' ' 79' ' ' GLU . 11.1 mt -70.15 -39.07 75.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -47.22 -36.82 9.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 110.312 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.406 ' CD1' ' HA ' ' A' ' 14' ' ' TRP . 0.4 OUTLIER -113.47 94.9 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.277 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.03 -177.14 0.6 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.486 ' CG2' ' HB2' ' A' ' 72' ' ' TYR . 2.7 m -97.42 164.08 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.133 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.47 ' HA ' ' C ' ' A' ' 21' ' ' PRO . 3.6 m -123.96 156.73 65.33 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.979 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.47 ' C ' ' HA ' ' A' ' 20' ' ' SER . 18.5 Cg_endo -74.9 174.43 52.62 Favored 'Cis proline' 0 C--N 1.359 1.127 0 C-N-CA 121.013 -2.494 . . . . 0.0 111.052 -0.116 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 4.21 4.94 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.51 1.795 . . . . 0.0 110.989 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.02 -20.65 59.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 110.278 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.414 ' O ' ' N ' ' A' ' 27' ' ' THR . . . -65.38 -14.2 59.43 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.495 1.122 . . . . 0.0 111.019 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -43.4 -48.12 7.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 0.772 . . . . 0.0 109.292 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -45.98 -39.15 8.58 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.108 . . . . 0.0 110.365 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.448 ' O ' ' N ' ' A' ' 30' ' ' VAL . 98.3 m -93.17 -28.33 16.36 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.475 1.109 . . . . 0.0 110.446 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.552 ' HG2' ' CE2' ' A' ' 72' ' ' TYR . 1.1 tmm_? -41.48 -51.16 3.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 110.337 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.42 ' N ' ' HD2' ' A' ' 28' ' ' ARG . 6.0 mtt180 -60.02 -37.15 78.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.304 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.448 ' N ' ' O ' ' A' ' 27' ' ' THR . 53.4 t -71.61 -51.43 32.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.458 ' O ' ' N ' ' A' ' 34' ' ' LEU . 21.2 mt -53.01 -42.98 46.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -41.56 -43.59 2.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.292 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.1 mmmm -72.17 -39.45 68.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.458 ' N ' ' O ' ' A' ' 31' ' ' ILE . 45.3 tp -57.07 -64.9 0.72 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.272 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.46 ' CB ' HG23 ' A' ' 77' ' ' VAL . . . -55.48 -46.43 76.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.341 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.3 ttp180 -56.99 -37.74 72.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.55 1.156 . . . . 0.0 110.301 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.682 ' CZ ' ' CD1' ' A' ' 45' ' ' LEU . 21.5 t80 -78.4 -39.37 39.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 110.975 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.428 ' C ' ' N ' ' A' ' 40' ' ' GLU . 23.1 t -64.29 -75.84 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 109.272 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.437 ' HB3' ' CD1' ' A' ' 80' ' ' ILE . . . -40.99 -29.32 0.1 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.125 . . . . 0.0 109.299 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.428 ' N ' ' C ' ' A' ' 38' ' ' VAL . 2.1 mm-40 -62.04 -65.13 0.74 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.278 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -81.48 -62.8 1.92 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.522 1.139 . . . . 0.0 110.948 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 154.19 -144.58 11.38 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -34.11 4.06 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.519 1.799 . . . . 0.0 110.955 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -51.71 -30.49 22.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 110.338 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.682 ' CD1' ' CZ ' ' A' ' 37' ' ' PHE . 0.1 OUTLIER -73.65 -55.72 5.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.317 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.08 -37.2 6.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.307 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.8 mttt -70.16 -56.29 7.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 109.342 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 53.5 t -54.76 -38.85 45.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -49.42 -51.33 36.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 14.0 mtt -57.01 -18.29 13.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.122 . . . . 0.0 110.962 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -93.63 -38.27 11.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.291 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.407 ' HB3' ' CE1' ' A' ' 53' ' ' TYR . 1.1 m-20 -63.66 -31.63 72.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.302 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.758 ' CD2' ' CD2' ' A' ' 59' ' ' PHE . 2.4 m-85 -121.95 31.36 6.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.987 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.14 -37.94 56.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -121.24 69.23 0.9 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.529 1.143 . . . . 0.0 109.265 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.423 ' ND2' ' HA ' ' A' ' 53' ' ' TYR . 2.4 m-80 -135.29 119.87 13.49 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.47 ' HA ' ' CG2' ' A' ' 60' ' ' THR . 18.4 Cg_endo -74.98 -3.3 13.72 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.482 1.78 . . . . 0.0 110.99 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -99.41 -36.73 9.48 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.451 1.094 . . . . 0.0 109.31 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.758 ' CD2' ' CD2' ' A' ' 53' ' ' TYR . 1.2 m-85 -93.53 29.35 2.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 110.985 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.47 ' CG2' ' HA ' ' A' ' 57' ' ' PRO . 66.0 p -69.33 -13.27 62.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.446 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.606 ' CE1' ' CD2' ' A' ' 59' ' ' PHE . 42.8 p90 -68.55 -41.87 79.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.99 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.485 ' N ' ' CG ' ' A' ' 61' ' ' PHE . 11.5 mt -40.12 -71.28 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.145 . . . . 0.0 109.301 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 20.8 m-70 -41.74 -57.27 2.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.63 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.77 129.2 40.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.479 ' O ' ' CD1' ' A' ' 70' ' ' PHE . 4.3 mmtt -90.16 -66.83 0.89 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.431 1.082 . . . . 0.0 109.33 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -99.13 84.41 3.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.263 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 9.8 t -123.61 -71.44 0.72 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 110.03 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.472 ' HG2' ' N ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER 174.42 -30.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.323 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.472 ' N ' ' HG2' ' A' ' 68' ' ' ARG . 0.1 OUTLIER -89.8 -46.97 8.21 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.456 1.098 . . . . 0.0 110.3 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.479 ' CD1' ' O ' ' A' ' 65' ' ' LYS . 29.7 t80 -55.99 -16.46 4.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 0.0 110.972 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 15.9 mt -79.1 -55.85 4.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.153 . . . . 0.0 109.286 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.552 ' CE2' ' HG2' ' A' ' 28' ' ' ARG . 15.0 t80 -56.35 -43.19 78.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.995 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.499 ' O ' ' CG2' ' A' ' 77' ' ' VAL . 1.7 t80 -44.11 -30.84 0.81 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 111.014 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.408 ' CD ' ' O ' ' A' ' 70' ' ' PHE . 0.0 OUTLIER -93.69 -31.27 14.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.328 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.403 ' N ' ' O ' ' A' ' 72' ' ' TYR . 24.2 mmt180 -58.14 -36.22 72.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 110.264 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.474 ' O ' ' N ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -86.33 -35.75 19.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.501 ' O ' ' CG ' ' A' ' 81' ' ' ARG . 2.6 t -41.29 -40.47 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.6 -46.75 81.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.091 . . . . 0.0 109.286 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.474 ' N ' ' O ' ' A' ' 76' ' ' LYS . 22.1 tp10 -56.63 -60.75 3.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 110.312 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.437 ' CD1' ' HB3' ' A' ' 39' ' ' ALA . 0.0 OUTLIER -61.27 -41.55 90.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.501 ' CG ' ' O ' ' A' ' 77' ' ' VAL . 3.1 mmm180 -40.82 -61.69 0.92 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.304 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.57 ' HD3' ' CD2' ' A' ' 11' ' ' TYR . 0.6 OUTLIER -40.56 -76.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.276 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.2 m -155.46 145.82 21.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 110.032 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -164.6 66.85 0.22 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.483 1.114 . . . . 0.0 110.971 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -87.05 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.47 1.774 . . . . 0.0 110.986 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 174.56 142.93 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.13 . . . . 0.0 109.976 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 28.9 t -77.02 95.99 4.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.952 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.481 1.113 . . . . 0.0 111.039 179.962 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.066 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.4 p -137.85 -58.8 0.67 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 0.776 . . . . 0.0 109.981 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.8 m -39.62 158.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 110.004 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.34 -120.51 1.66 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.484 1.115 . . . . 0.0 110.992 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 69.59 -77.17 0.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 0.768 . . . . 0.0 110.035 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 p -71.8 135.97 46.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 110.016 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -69.21 72.11 0.43 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.528 1.143 . . . . 0.0 110.976 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.426 ' C ' ' N ' ' A' ' 10' ' ' ASP . 19.6 pt-20 -108.83 -44.88 3.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 0.76 . . . . 0.0 110.26 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.404 ' N ' ' HG3' ' A' ' 8' ' ' GLU . 2.7 mt-10 -37.95 -31.97 0.05 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.142 . . . . 0.0 110.27 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.5 ' O ' ' N ' ' A' ' 13' ' ' GLN . 7.6 p-10 -41.94 -53.51 3.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.615 ' C ' ' CD1' ' A' ' 11' ' ' TYR . 0.2 OUTLIER -37.77 -30.45 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.482 1.114 . . . . 0.0 111.0 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.569 ' HB2' ' CE1' ' A' ' 11' ' ' TYR . 15.9 tt0 -103.93 -29.05 11.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.22 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.5 ' N ' ' O ' ' A' ' 10' ' ' ASP . 1.5 pt20 -66.22 -17.6 64.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 110.294 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.475 ' HA ' ' CD1' ' A' ' 17' ' ' ILE . 28.4 m95 -85.48 -31.7 22.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 108.028 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.459 ' CD2' ' HB2' ' A' ' 79' ' ' GLU . 0.7 OUTLIER -56.38 -30.9 63.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -57.36 -32.74 67.07 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 110.296 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.475 ' CD1' ' HA ' ' A' ' 14' ' ' TRP . 0.1 OUTLIER -109.01 102.55 14.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 27.4 mmtm -84.12 166.27 17.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.461 ' CG2' ' HA ' ' A' ' 72' ' ' TYR . 65.1 t -89.33 137.91 20.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 109.28 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.47 ' HA ' ' C ' ' A' ' 21' ' ' PRO . 0.1 OUTLIER -92.58 155.72 41.83 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.48 1.113 . . . . 0.0 109.966 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.47 ' C ' ' HA ' ' A' ' 20' ' ' SER . 18.3 Cg_endo -74.97 174.46 52.56 Favored 'Cis proline' 0 C--N 1.361 1.197 0 C-N-CA 121.014 -2.494 . . . . 0.0 111.002 -0.023 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 4.05 5.06 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.517 1.798 . . . . 0.0 111.026 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.92 -25.28 63.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 110.318 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.01 -12.76 38.02 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.48 1.112 . . . . 0.0 111.003 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -40.79 -42.94 1.9 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 0.747 . . . . 0.0 109.287 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -76.16 -57.0 4.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 110.303 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.459 ' O ' ' N ' ' A' ' 30' ' ' VAL . 17.5 m -46.84 -25.46 0.76 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.388 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.17 -23.01 1.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.095 . . . . 0.0 110.263 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 86.2 mtt-85 -74.42 -31.36 62.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 110.296 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.459 ' N ' ' O ' ' A' ' 27' ' ' THR . 6.1 p -92.86 -14.49 8.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.449 1.093 . . . . 0.0 109.326 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.568 HD13 ' CD2' ' A' ' 72' ' ' TYR . 65.0 mt -87.24 -53.22 10.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.153 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -51.46 -32.34 26.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.287 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 36.6 tptt -60.06 -49.02 79.3 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.499 1.125 . . . . 0.0 109.29 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.503 ' CD1' ' CD2' ' A' ' 62' ' ' LEU . 0.6 OUTLIER -56.49 -54.24 48.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.459 ' CB ' HG22 ' A' ' 77' ' ' VAL . . . -59.56 -58.56 8.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.402 ' O ' ' HB3' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -49.84 -22.15 1.37 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 110.28 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -94.47 -29.65 14.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 111.037 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.442 ' C ' ' N ' ' A' ' 40' ' ' GLU . 5.5 t -85.73 -75.77 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.27 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.458 ' HB1' ' CD1' ' A' ' 80' ' ' ILE . . . -39.67 -29.91 0.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.536 1.147 . . . . 0.0 109.263 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.442 ' N ' ' C ' ' A' ' 38' ' ' VAL . 2.1 tt0 -65.07 -67.02 0.47 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 110.251 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -76.7 -69.48 1.39 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.489 1.118 . . . . 0.0 110.989 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 164.28 -147.27 12.5 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.459 ' O ' ' N ' ' A' ' 46' ' ' GLU . 18.3 Cg_endo -74.95 -40.44 0.92 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.478 1.778 . . . . 0.0 111.029 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -47.13 -30.66 2.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 110.294 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.55 ' N ' ' CD2' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -70.47 -36.68 74.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.268 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 43' ' ' PRO . 2.1 tm-20 -70.75 -26.84 63.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.328 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.562 ' N ' ' CD ' ' A' ' 47' ' ' LYS . 0.1 OUTLIER -81.16 -45.52 16.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.332 179.944 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 25.3 t -65.36 -48.57 82.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -48.61 -53.15 19.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.27 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 3.1 mtt -55.68 -18.09 7.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 110.972 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -96.41 -38.0 10.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 110.313 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -70.58 -38.29 74.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.333 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.473 ' CD2' ' CD1' ' A' ' 59' ' ' PHE . 8.7 m-30 -96.18 16.04 19.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.989 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.3 tttm -68.37 -10.29 54.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 109.318 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -108.22 -27.8 9.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 45.7 m-80 -82.88 120.44 76.25 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.461 1.101 . . . . 0.0 109.266 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.5 ' O ' ' CG2' ' A' ' 60' ' ' THR . 18.3 Cg_endo -75.07 -36.86 2.26 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.447 1.762 . . . . 0.0 110.988 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -50.38 -29.79 10.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.438 1.086 . . . . 0.0 109.316 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.618 ' CD1' ' CE2' ' A' ' 61' ' ' PHE . 0.8 OUTLIER -105.43 23.58 13.54 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.439 1.087 . . . . 0.0 110.996 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.5 ' CG2' ' O ' ' A' ' 57' ' ' PRO . 10.2 t -71.17 -12.82 61.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 110.423 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.618 ' CE2' ' CD1' ' A' ' 59' ' ' PHE . 48.2 p90 -60.65 -34.69 74.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.98 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.503 ' CD2' ' CD1' ' A' ' 34' ' ' LEU . 32.3 mt -40.2 -55.2 2.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 109.256 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -80.85 58.63 3.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 109.582 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 178.14 116.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.474 ' HG3' ' CE1' ' A' ' 70' ' ' PHE . 0.0 OUTLIER -98.9 48.05 0.97 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 20.1 m-80 -174.09 36.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.556 ' O ' ' CB ' ' A' ' 68' ' ' ARG . 14.7 t -101.07 -5.43 25.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.021 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.556 ' CB ' ' O ' ' A' ' 67' ' ' SER . 1.1 ptt180 88.8 -22.09 0.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.309 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.433 ' N ' ' HG2' ' A' ' 68' ' ' ARG . 1.9 tt0 -89.52 -61.46 1.69 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 110.273 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.474 ' CE1' ' HG3' ' A' ' 65' ' ' LYS . 48.8 t80 -45.09 -34.02 2.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 111.021 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.439 ' CD2' ' N ' ' A' ' 71' ' ' LEU . 1.6 mm? -69.41 -50.35 46.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.442 1.089 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.568 ' CD2' HD13 ' A' ' 31' ' ' ILE . 77.3 t80 -60.51 -32.14 71.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 111.027 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.432 ' HB2' ' CG2' ' A' ' 31' ' ' ILE . 1.1 t80 -71.64 -46.15 59.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 110.991 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.79 -32.27 65.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 110.338 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.446 ' NH1' ' O ' ' A' ' 17' ' ' ILE . 67.8 mtt180 -71.97 -70.21 0.35 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 110.271 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.437 ' O ' ' N ' ' A' ' 79' ' ' GLU . 19.4 mmtt -44.64 -34.12 2.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.459 HG22 ' CB ' ' A' ' 35' ' ' ALA . 2.4 t -49.68 -36.87 11.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -68.26 -31.88 71.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.572 1.17 . . . . 0.0 109.291 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.459 ' HB2' ' CD2' ' A' ' 15' ' ' LEU . 32.4 tp10 -71.56 -55.58 7.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 110.251 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.458 ' CD1' ' HB1' ' A' ' 39' ' ' ALA . 0.0 OUTLIER -64.2 -39.96 87.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.545 1.153 . . . . 0.0 109.268 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.451 ' HG2' ' CB ' ' A' ' 39' ' ' ALA . 4.4 mmm180 -43.55 -62.86 0.96 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 110.245 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.565 ' HG3' ' CE2' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -40.54 -77.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.474 ' CB ' ' O ' ' A' ' 82' ' ' LYS . 0.3 OUTLIER 84.05 86.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.981 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -147.59 90.65 0.15 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.496 1.122 . . . . 0.0 111.027 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 70.77 5.18 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.437 1.757 . . . . 0.0 111.031 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 58.75 108.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 110.004 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -145.48 167.61 22.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.976 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 O-C-N 124.469 1.106 . . . . 0.0 110.989 -179.973 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 64.23 85.73 0.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 0.766 . . . . 0.0 110.021 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 64.9 m 63.08 131.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 110.005 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 126.2 -78.04 0.38 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.488 1.118 . . . . 0.0 111.003 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 m -86.54 81.61 8.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 0.771 . . . . 0.0 109.975 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.9 p -84.11 132.68 34.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.979 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -137.4 149.87 20.49 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.488 1.117 . . . . 0.0 110.984 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.402 ' C ' ' N ' ' A' ' 10' ' ' ASP . 0.1 OUTLIER -174.31 -72.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 0.774 . . . . 0.0 110.303 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.433 ' HA ' ' CD2' ' A' ' 11' ' ' TYR . 8.3 tt0 -44.54 -26.59 0.38 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 110.267 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.457 ' O ' ' N ' ' A' ' 13' ' ' GLN . 2.1 m-20 -47.19 -25.83 1.01 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.525 ' C ' ' CD1' ' A' ' 11' ' ' TYR . 2.3 p90 -48.47 -25.31 1.6 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 111.022 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.403 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 6.5 pt-20 -94.82 -22.6 17.94 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.117 . . . . 0.0 110.298 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.457 ' N ' ' O ' ' A' ' 10' ' ' ASP . 0.1 OUTLIER -61.9 -13.06 21.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 110.321 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.43 ' HA ' ' CD1' ' A' ' 17' ' ' ILE . 31.8 m95 -84.29 -49.12 9.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 107.997 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.471 ' HA ' ' NH2' ' A' ' 75' ' ' ARG . 0.4 OUTLIER -44.84 -26.79 0.44 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.095 . . . . 0.0 109.315 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.423 ' N ' ' C ' ' A' ' 14' ' ' TRP . 17.7 mt-10 -59.2 -37.66 77.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.29 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.459 ' O ' ' NH2' ' A' ' 75' ' ' ARG . 0.1 OUTLIER -112.99 96.18 4.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.444 ' HA ' ' NH2' ' A' ' 75' ' ' ARG . 6.4 mmtp -64.64 173.15 2.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.465 ' CG1' ' O ' ' A' ' 68' ' ' ARG . 60.7 t -87.39 139.97 16.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.14 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.455 ' HA ' ' C ' ' A' ' 21' ' ' PRO . 0.0 OUTLIER -109.0 157.64 36.42 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.987 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.455 ' C ' ' HA ' ' A' ' 20' ' ' SER . 18.1 Cg_endo -75.04 174.44 52.72 Favored 'Cis proline' 0 C--N 1.361 1.205 0 C-N-CA 121.002 -2.499 . . . . 0.0 110.961 0.069 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 4.25 4.9 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.497 1.788 . . . . 0.0 111.015 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -72.19 -22.23 61.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 110.339 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 25' ' ' ALA . . . -69.95 -12.97 68.95 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.45 1.094 . . . . 0.0 110.968 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 24' ' ' GLY . . . -40.21 -36.22 0.49 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 0.757 . . . . 0.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -55.57 -58.81 6.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.3 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.473 ' CG2' ' CG1' ' A' ' 30' ' ' VAL . 31.5 m -73.46 -29.0 62.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 110.373 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.565 ' HG2' ' CE2' ' A' ' 72' ' ' TYR . 3.0 tmm_? -41.45 -27.93 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 110.304 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.42 ' N ' ' C ' ' A' ' 27' ' ' THR . 72.0 mtt180 -74.02 -52.78 11.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 110.267 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.473 ' CG1' ' CG2' ' A' ' 27' ' ' THR . 9.5 p -60.71 -29.01 44.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.543 HG21 ' CD2' ' A' ' 72' ' ' TYR . 66.8 mt -70.91 -44.26 76.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.567 1.167 . . . . 0.0 109.268 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -45.47 -29.72 1.2 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 110.335 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -90.64 -33.39 15.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.451 ' O ' ' CG2' ' A' ' 38' ' ' VAL . 19.2 tp -66.36 -49.77 65.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.147 . . . . 0.0 109.278 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.478 ' CB ' HG21 ' A' ' 77' ' ' VAL . . . -65.62 -30.56 71.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 16.4 ttm180 -78.14 -68.24 0.65 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 110.267 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.514 ' CG ' HD11 ' A' ' 45' ' ' LEU . 4.4 t80 -45.72 -24.52 0.37 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 110.929 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.451 ' CG2' ' O ' ' A' ' 34' ' ' LEU . 18.1 t -83.02 -75.68 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.261 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.429 ' HB1' ' CD1' ' A' ' 80' ' ' ILE . . . -45.86 -25.72 0.57 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.348 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.407 ' N ' ' C ' ' A' ' 38' ' ' VAL . 4.9 tp10 -67.97 -55.19 13.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.552 1.157 . . . . 0.0 110.288 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -92.1 -61.7 1.19 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.444 1.09 . . . . 0.0 110.986 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 38' ' ' VAL . . . 152.59 -145.92 13.98 Favored Glycine 0 CA--C 1.531 1.04 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -32.29 5.49 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.47 1.774 . . . . 0.0 111.016 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -50.64 -33.25 21.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 110.29 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.574 ' N ' ' CD2' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -75.58 -44.0 45.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 51.1 tt0 -56.21 -38.7 71.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 0.0 110.3 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.3 mtmt -70.54 -58.89 3.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 75.7 t -49.85 -42.66 18.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -47.7 -59.92 2.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.57 1.168 . . . . 0.0 109.333 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 9.5 mtt -47.59 -25.54 1.18 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 111.003 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -88.61 -36.96 16.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.307 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -64.37 -39.68 94.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 109.314 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.78 ' CD2' ' CE1' ' A' ' 59' ' ' PHE . 2.0 m-85 -109.89 26.09 11.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 111.006 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.12 -40.13 45.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.327 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 39.7 t0 -118.04 64.74 0.75 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -134.15 119.81 14.7 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 109.267 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.47 ' HA ' ' CG2' ' A' ' 60' ' ' THR . 18.4 Cg_endo -75.0 -7.28 19.02 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.501 1.79 . . . . 0.0 111.033 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -95.63 -20.85 18.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 0.0 109.312 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.78 ' CE1' ' CD2' ' A' ' 53' ' ' TYR . 1.2 m-85 -106.07 26.67 9.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.424 1.078 . . . . 0.0 111.014 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.47 ' CG2' ' HA ' ' A' ' 57' ' ' PRO . 66.8 p -69.25 -12.4 61.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 110.386 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.616 ' CE1' ' CD1' ' A' ' 59' ' ' PHE . 43.4 p90 -70.04 -39.21 75.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 111.013 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.446 ' N ' ' CG ' ' A' ' 61' ' ' PHE . 10.4 mt -39.61 -67.5 0.22 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.332 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 13.1 m-70 -47.07 -50.99 18.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 109.615 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -62.21 110.39 1.61 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.16 . . . . 0.0 109.338 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.559 ' HG2' ' CE1' ' A' ' 70' ' ' PHE . 4.5 mtmp? -107.26 33.08 4.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.326 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.444 ' ND2' ' O ' ' A' ' 65' ' ' LYS . 22.7 m-80 -175.51 52.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 83.5 p -118.23 -70.87 0.77 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.578 1.174 . . . . 0.0 110.035 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.487 ' HG2' ' N ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER 174.94 -31.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 110.279 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.487 ' N ' ' HG2' ' A' ' 68' ' ' ARG . 0.6 OUTLIER -78.41 -52.45 8.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 110.342 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.559 ' CE1' ' HG2' ' A' ' 65' ' ' LYS . 82.8 t80 -59.46 -21.21 59.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 111.017 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 19.0 mt -75.2 -46.85 31.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.297 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.565 ' CE2' ' HG2' ' A' ' 28' ' ' ARG . 52.4 t80 -64.44 -46.56 82.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 111.027 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.481 ' HA ' ' CG2' ' A' ' 31' ' ' ILE . 5.3 t80 -47.56 -36.79 11.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 111.002 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 13.5 mmt180 -74.32 -31.4 62.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 110.295 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.471 ' NH2' ' HA ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -68.27 -73.78 0.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.138 . . . . 0.0 110.298 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 79' ' ' GLU . 0.1 OUTLIER -37.17 -44.92 0.59 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.478 HG21 ' CB ' ' A' ' 35' ' ' ALA . 2.9 t -40.28 -46.28 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . -55.65 -48.51 74.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.281 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 76' ' ' LYS . 24.3 tp10 -55.98 -67.69 0.27 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.123 . . . . 0.0 110.304 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.429 ' CD1' ' HB1' ' A' ' 39' ' ' ALA . 0.0 OUTLIER -52.82 -39.82 32.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 109.31 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.407 ' O ' ' C ' ' A' ' 82' ' ' LYS . 9.7 mmm180 -50.06 -53.4 27.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.25 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.52 ' HG3' ' CZ ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -40.0 144.74 0.18 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.495 ' CB ' ' O ' ' A' ' 82' ' ' LYS . 0.3 OUTLIER 85.74 58.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.158 . . . . 0.0 109.989 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -103.93 -143.17 12.29 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.501 1.126 . . . . 0.0 111.006 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -179.16 4.72 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.498 1.788 . . . . 0.0 110.951 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -139.01 101.44 4.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.007 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 11.4 t -111.1 131.28 55.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.963 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 O-C-N 124.505 1.128 . . . . 0.0 111.01 179.99 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.3 m 56.65 106.7 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.537 0.787 . . . . 0.0 109.981 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 t 65.69 132.42 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 109.996 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -131.07 -58.7 0.09 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.518 1.136 . . . . 0.0 110.995 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -168.87 111.72 0.54 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 0.786 . . . . 0.0 110.038 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.5 m -73.22 145.18 46.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.025 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.84 -158.32 7.57 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.537 1.148 . . . . 0.0 110.99 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.402 ' C ' ' N ' ' A' ' 10' ' ' ASP . 2.0 mt-10 -129.26 -64.24 0.91 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 0.783 . . . . 0.0 110.269 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.475 ' HA ' ' CD2' ' A' ' 11' ' ' TYR . 0.2 OUTLIER -41.51 -28.15 0.12 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 110.324 179.946 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.481 ' CA ' ' HG2' ' A' ' 13' ' ' GLN . 61.5 m-20 -45.18 -26.75 0.52 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.566 ' CD2' ' HG3' ' A' ' 82' ' ' LYS . 4.6 p90 -50.43 -19.5 0.87 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 111.007 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -104.77 -21.64 13.32 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.488 1.117 . . . . 0.0 110.261 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.481 ' HG2' ' CA ' ' A' ' 10' ' ' ASP . 0.6 OUTLIER -65.48 -11.59 44.64 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.546 1.153 . . . . 0.0 110.301 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.45 ' HA ' ' CD1' ' A' ' 17' ' ' ILE . 30.6 m95 -91.07 -26.9 18.93 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.964 -1.124 . . . . 0.0 107.964 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.499 ' CD1' ' O ' ' A' ' 75' ' ' ARG . 1.4 tp -66.05 -42.63 89.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -44.66 -37.09 3.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 110.297 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.45 ' CD1' ' HA ' ' A' ' 14' ' ' TRP . 0.4 OUTLIER -113.83 94.82 3.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.514 1.133 . . . . 0.0 109.3 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.513 ' HD2' ' CE1' ' A' ' 72' ' ' TYR . 23.5 mmtp -79.52 -172.03 3.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.489 HG11 ' CA ' ' A' ' 72' ' ' TYR . 2.4 m -89.8 166.98 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.125 . . . . 0.0 109.305 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.495 ' HA ' ' C ' ' A' ' 21' ' ' PRO . 81.1 p -116.54 144.7 33.71 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.936 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.495 ' C ' ' HA ' ' A' ' 20' ' ' SER . 18.3 Cg_endo -75.0 174.44 52.7 Favored 'Cis proline' 0 C--N 1.36 1.161 0 C-N-CA 121.018 -2.493 . . . . 0.0 110.998 -0.023 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 3.83 5.28 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.484 1.781 . . . . 0.0 111.017 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -68.62 -25.9 65.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 110.299 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -52.82 -19.11 6.39 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.486 1.116 . . . . 0.0 111.039 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -50.4 -22.88 2.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 0.766 . . . . 0.0 109.309 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -78.37 -55.64 5.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.263 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.448 ' O ' ' N ' ' A' ' 30' ' ' VAL . 5.4 m -64.52 -14.53 57.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.403 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.1 tmm_? -45.91 -49.6 15.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.152 . . . . 0.0 110.346 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.1 mtm180 -56.46 -25.08 49.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 110.321 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.448 ' N ' ' O ' ' A' ' 27' ' ' THR . 72.2 t -95.41 -24.67 4.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 0.0 109.257 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.48 ' CG2' ' HA ' ' A' ' 73' ' ' TYR . 85.2 mt -80.08 -64.9 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.163 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 31' ' ' ILE . 3.7 mt-10 -37.17 -39.69 0.27 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.555 1.16 . . . . 0.0 110.304 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -46.58 -54.92 8.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.451 ' CD1' ' CD2' ' A' ' 62' ' ' LEU . 1.2 tt -53.75 -48.14 69.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.26 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.478 ' CB ' HG21 ' A' ' 77' ' ' VAL . . . -60.1 -60.02 4.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.48 ' O ' ' CG ' ' A' ' 40' ' ' GLU . 4.4 tpt180 -45.22 -33.6 2.4 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.451 1.094 . . . . 0.0 110.261 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 32.9 t80 -78.46 -49.32 13.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 0.0 110.982 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.443 HG21 ' CD2' ' A' ' 34' ' ' LEU . 2.9 t -66.33 -69.12 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.456 ' CB ' HD12 ' A' ' 80' ' ' ILE . . . -40.39 -33.93 0.29 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.48 ' CG ' ' O ' ' A' ' 36' ' ' ARG . 1.7 mm-40 -57.88 -67.77 0.31 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.261 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -76.94 -67.25 1.69 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.482 1.114 . . . . 0.0 110.993 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 157.6 -143.61 9.69 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -33.75 4.36 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.48 1.779 . . . . 0.0 110.995 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -52.67 -29.53 26.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 110.279 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.519 ' N ' ' CD2' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -73.34 -59.49 2.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.369 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 11.0 tm-20 -42.4 -38.09 1.77 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.132 . . . . 0.0 110.306 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -71.92 -63.19 1.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.414 ' O ' ' N ' ' A' ' 51' ' ' GLU . 61.2 t -48.4 -48.55 13.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 0.0 109.274 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -44.31 -59.85 2.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.278 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 1.8 mtt -46.46 -23.97 0.45 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.979 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 48' ' ' VAL . 19.2 tp10 -94.82 -52.92 4.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.444 1.09 . . . . 0.0 110.268 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -55.67 -20.91 15.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.433 1.083 . . . . 0.0 109.315 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.427 ' C ' ' N ' ' A' ' 55' ' ' ASP . 5.1 m-30 -114.53 21.01 14.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 111.013 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 53' ' ' TYR . 3.5 tttt -38.6 -32.8 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 109.258 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.427 ' N ' ' C ' ' A' ' 53' ' ' TYR . 15.9 m-20 -115.31 80.94 1.5 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.264 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.477 ' HB2' ' CB ' ' A' ' 59' ' ' PHE . 1.1 p30 -106.63 121.3 45.58 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 109.263 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -61.86 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.49 1.784 . . . . 0.0 110.997 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -95.8 -16.98 21.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.482 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 0.2 OUTLIER -88.25 31.55 0.8 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 110.981 -179.958 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.539 ' HB ' ' CE1' ' A' ' 63' ' ' HIS . 77.8 p -76.08 -12.39 60.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 110.458 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.482 ' CE1' ' HA ' ' A' ' 59' ' ' PHE . 49.6 p90 -63.79 -13.42 43.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 111.035 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.451 ' CD2' ' CD1' ' A' ' 34' ' ' LEU . 13.8 mt -64.93 -44.58 89.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.249 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.539 ' CE1' ' HB ' ' A' ' 60' ' ' THR . 12.7 p80 -91.07 35.72 0.91 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.147 . . . . 0.0 109.609 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -146.67 93.28 2.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.274 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.581 ' CD ' ' CZ ' ' A' ' 70' ' ' PHE . 14.1 mmtt -60.48 -85.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.35 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 25.3 p30 -70.82 70.83 0.5 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.407 ' O ' ' HB3' ' A' ' 68' ' ' ARG . 2.0 t -115.03 -83.5 0.62 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 109.991 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.425 ' HG2' ' N ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER 173.51 -30.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 110.279 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.476 ' HB3' ' CG ' ' A' ' 61' ' ' PHE . 1.0 OUTLIER -92.73 -32.83 14.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 110.288 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.581 ' CZ ' ' CD ' ' A' ' 65' ' ' LYS . 58.1 t80 -68.07 -33.16 74.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.989 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -69.59 -51.91 30.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.249 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.513 ' CE1' ' HD2' ' A' ' 18' ' ' LYS . 34.5 t80 -56.47 -38.92 72.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 110.986 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.507 ' O ' ' CG2' ' A' ' 77' ' ' VAL . 2.3 t80 -56.98 -26.85 60.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.142 . . . . 0.0 111.004 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 6.1 mtm180 -89.62 -34.42 16.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 110.263 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.499 ' O ' ' CD1' ' A' ' 15' ' ' LEU . 23.3 mmt180 -61.58 -32.66 72.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.291 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.456 ' O ' ' N ' ' A' ' 79' ' ' GLU . 8.7 mmtt -86.88 -35.22 19.11 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.507 ' CG2' ' O ' ' A' ' 73' ' ' TYR . 2.6 t -47.06 -45.31 8.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -66.27 -30.84 71.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.542 1.151 . . . . 0.0 109.281 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 76' ' ' LYS . 23.4 tp10 -73.01 -56.68 4.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 110.292 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.456 HD12 ' CB ' ' A' ' 39' ' ' ALA . 0.0 OUTLIER -63.81 -40.17 88.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.261 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.49 ' CG ' ' O ' ' A' ' 77' ' ' VAL . 1.8 mmm180 -47.16 -63.8 0.95 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.333 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.566 ' HG3' ' CD2' ' A' ' 11' ' ' TYR . 7.4 mmtt -68.43 150.89 47.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.33 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -156.43 75.0 0.85 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.019 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 53.89 -119.69 12.21 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.479 1.112 . . . . 0.0 111.002 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -177.79 3.72 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.448 1.762 . . . . 0.0 110.973 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.4 t -178.04 107.51 0.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.959 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 15.7 m -91.61 108.97 20.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.953 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.537 1.148 . . . . 0.0 110.968 -179.99 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -170.82 93.04 0.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 0.786 . . . . 0.0 109.956 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -165.17 128.76 2.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 0.0 110.028 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 128.23 -62.07 0.64 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.541 1.15 . . . . 0.0 111.017 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 61.34 75.73 0.4 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 0.748 . . . . 0.0 110.004 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.406 ' O ' ' N ' ' A' ' 8' ' ' GLU . 25.1 m -112.26 140.72 46.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 109.968 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -58.25 86.26 0.01 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.497 1.123 . . . . 0.0 110.994 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' A' ' 6' ' ' SER . 9.8 pt-20 -65.59 116.68 7.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.453 0.737 . . . . 0.0 110.296 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.418 ' HA ' ' CD2' ' A' ' 11' ' ' TYR . 5.8 mt-10 -49.8 -22.18 1.35 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.09 . . . . 0.0 110.261 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.453 ' O ' ' N ' ' A' ' 13' ' ' GLN . 0.7 OUTLIER -60.02 -15.66 24.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.574 ' CE1' ' HB2' ' A' ' 12' ' ' GLU . 4.2 p90 -47.98 -29.76 3.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 111.006 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.574 ' HB2' ' CE1' ' A' ' 11' ' ' TYR . 26.2 tt0 -91.08 -21.64 21.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 110.282 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.453 ' N ' ' O ' ' A' ' 10' ' ' ASP . 0.1 OUTLIER -60.01 -16.7 32.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 110.282 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 27.6 m95 -77.55 -27.69 51.61 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.443 ' CD2' ' HG2' ' A' ' 76' ' ' LYS . 12.8 mt -62.73 -28.16 69.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -58.96 -33.48 70.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 110.313 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -108.83 94.57 3.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.584 1.178 . . . . 0.0 109.283 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.3 mmtp -71.32 163.52 27.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.461 ' CG2' ' HB2' ' A' ' 72' ' ' TYR . 1.2 m -89.61 165.67 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.322 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.494 ' HA ' ' C ' ' A' ' 21' ' ' PRO . 73.2 p -116.59 150.08 44.96 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.127 . . . . 0.0 109.993 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.494 ' C ' ' HA ' ' A' ' 20' ' ' SER . 18.2 Cg_endo -75.06 174.21 53.91 Favored 'Cis proline' 0 C--N 1.359 1.122 0 C-N-CA 120.971 -2.512 . . . . 0.0 110.978 0.039 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 4.46 4.73 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.538 1.809 . . . . 0.0 111.014 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -68.32 -38.68 81.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.28 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -47.09 -26.03 2.87 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.493 1.121 . . . . 0.0 111.011 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -41.5 -36.55 0.91 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 0.772 . . . . 0.0 109.293 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -71.6 -53.33 14.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.303 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.475 ' O ' ' N ' ' A' ' 30' ' ' VAL . 1.8 m -60.54 -14.3 19.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.422 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.427 ' HD2' ' N ' ' A' ' 29' ' ' ARG . 2.7 tmm_? -38.86 -57.61 1.21 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.163 . . . . 0.0 110.294 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.427 ' N ' ' HD2' ' A' ' 28' ' ' ARG . 12.7 mtp180 -48.59 -38.76 21.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.294 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.475 ' N ' ' O ' ' A' ' 27' ' ' THR . 89.2 t -78.48 -55.12 10.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.455 HD13 ' CG ' ' A' ' 69' ' ' GLU . 35.7 mt -48.64 -63.08 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.465 ' OE2' ' CB ' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -45.6 -31.17 1.74 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.097 . . . . 0.0 110.303 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.423 ' CB ' ' O ' ' A' ' 30' ' ' VAL . 14.6 tptt -59.11 -50.42 74.12 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.131 . . . . 0.0 109.272 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 38.2 tp -63.29 -47.68 81.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.475 ' CB ' HG21 ' A' ' 77' ' ' VAL . . . -58.38 -49.8 75.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.279 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.9 ttt-85 -63.09 -23.39 67.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.274 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.461 ' CZ ' ' CD1' ' A' ' 45' ' ' LEU . 20.4 t80 -87.03 -36.96 17.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.159 . . . . 0.0 110.982 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.433 ' C ' ' N ' ' A' ' 40' ' ' GLU . 9.4 t -73.45 -73.27 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.444 ' HB2' ' CD1' ' A' ' 80' ' ' ILE . . . -39.94 -31.05 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.433 ' N ' ' C ' ' A' ' 38' ' ' VAL . 0.6 OUTLIER -58.99 -67.74 0.34 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.163 . . . . 0.0 110.28 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.0 -50.09 5.69 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.505 1.128 . . . . 0.0 110.993 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 38' ' ' VAL . . . 136.2 -142.75 14.03 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -28.19 9.38 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.486 1.782 . . . . 0.0 111.01 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -54.31 -32.8 57.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.282 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.555 ' N ' ' CD2' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -75.55 -42.69 51.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -59.25 -38.94 81.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 0.0 110.337 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 8.5 mtmm -69.85 -49.72 49.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.291 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.419 ' O ' ' N ' ' A' ' 51' ' ' GLU . 72.9 t -61.81 -46.81 95.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.335 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -44.75 -56.34 4.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 109.268 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -45.14 -24.49 0.25 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 111.028 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' A' ' 48' ' ' VAL . 6.1 mt-10 -95.81 -50.82 4.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 110.277 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -47.1 -47.2 23.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.543 ' CD2' ' CD2' ' A' ' 59' ' ' PHE . 8.0 m-85 -104.96 29.81 6.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 110.987 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -46.78 -43.5 18.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.281 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -119.96 77.94 1.29 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.271 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -134.74 118.64 13.48 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.3 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.472 ' HA ' ' CG2' ' A' ' 60' ' ' THR . 18.4 Cg_endo -75.03 -2.53 12.67 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.521 1.801 . . . . 0.0 110.994 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -99.34 -54.54 2.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 0.0 109.319 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.543 ' CD2' ' CD2' ' A' ' 53' ' ' TYR . 2.8 m-85 -84.68 34.54 0.54 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 111.017 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.472 ' CG2' ' HA ' ' A' ' 57' ' ' PRO . 68.7 p -65.09 -11.33 38.57 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.507 1.13 . . . . 0.0 110.359 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.522 ' CE1' ' HA ' ' A' ' 59' ' ' PHE . 43.3 p90 -75.51 -20.54 58.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 111.011 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -44.04 -71.2 0.08 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.42 ' O ' ' N ' ' A' ' 65' ' ' LYS . 4.4 m-70 -59.25 -74.95 0.06 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.497 1.123 . . . . 0.0 109.551 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 63' ' ' HIS . 0.5 OUTLIER -40.22 99.14 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 63' ' ' HIS . 0.3 OUTLIER -62.37 -48.07 81.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 109.346 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 32.9 m120 -75.87 59.32 1.23 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.097 . . . . 0.0 109.29 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 9.4 t -120.59 130.28 54.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 110.034 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.425 ' HG2' ' N ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -55.83 -24.11 34.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 110.291 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.511 ' HB3' ' CG ' ' A' ' 61' ' ' PHE . 0.7 OUTLIER -85.1 -28.92 25.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 110.315 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -83.07 -16.55 46.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 111.026 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 8.7 mt -82.19 -63.91 1.29 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.117 . . . . 0.0 109.28 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.461 ' HB2' ' CG2' ' A' ' 19' ' ' VAL . 30.3 t80 -53.09 -34.09 55.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 111.014 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.527 ' O ' ' CG2' ' A' ' 77' ' ' VAL . 0.9 OUTLIER -60.48 -30.75 69.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 110.999 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -92.65 -24.87 18.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.325 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -68.17 -40.32 82.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.347 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.465 ' CB ' ' OE2' ' A' ' 32' ' ' GLU . 0.0 OUTLIER -83.51 -24.78 31.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.327 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.527 ' CG2' ' O ' ' A' ' 73' ' ' TYR . 1.7 t -48.15 -36.97 6.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.319 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.38 -33.3 69.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 109.323 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 76' ' ' LYS . 5.2 tm-20 -66.99 -51.99 48.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 110.274 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.444 ' CD1' ' HB2' ' A' ' 39' ' ' ALA . 0.0 OUTLIER -69.54 -36.11 69.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.278 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 10.4 mmm-85 -49.31 -53.51 21.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.299 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.72 136.36 1.41 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 109.344 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.8 t 68.18 54.17 0.59 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.015 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -83.97 158.36 34.81 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.529 1.143 . . . . 0.0 111.013 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 66.98 5.98 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.452 1.764 . . . . 0.0 111.057 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 39.53 82.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 110.009 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 80.5 p -172.09 132.1 0.66 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 0.0 110.047 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 O-C-N 124.507 1.129 . . . . 0.0 110.975 179.99 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 m -44.41 142.16 1.67 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 0.76 . . . . 0.0 109.996 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -117.92 -60.96 1.74 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 110.002 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 73.95 162.74 8.46 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.539 1.149 . . . . 0.0 110.998 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 m -95.2 87.31 4.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 0.782 . . . . 0.0 110.016 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -122.82 119.29 30.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.026 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.42 ' O ' ' N ' ' A' ' 9' ' ' GLU . . . 167.11 -91.9 0.1 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.491 1.119 . . . . 0.0 110.999 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 67.17 -72.67 0.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 0.748 . . . . 0.0 110.285 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.564 ' HA ' ' CD2' ' A' ' 11' ' ' TYR . 7.6 pt-20 -46.54 -24.45 0.53 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.465 1.103 . . . . 0.0 110.283 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.447 ' O ' ' N ' ' A' ' 13' ' ' GLN . 1.3 m-20 -46.67 -25.29 0.69 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 109.333 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.583 ' CD2' ' HG3' ' A' ' 82' ' ' LYS . 4.1 p90 -48.67 -22.63 0.81 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 111.037 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.538 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -97.36 -22.5 16.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 110.309 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 10' ' ' ASP . 1.1 pp0? -60.03 -15.9 26.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 0.0 110.32 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 26.8 m95 -76.62 -19.09 58.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 107.992 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.441 HD22 ' HA ' ' A' ' 76' ' ' LYS . 9.5 mt -72.74 -23.28 60.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -62.97 -32.26 73.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 110.283 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -113.39 94.47 3.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.147 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.0 mmtm -61.52 164.1 6.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.457 ' CG1' ' O ' ' A' ' 68' ' ' ARG . 55.9 t -87.0 128.6 39.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.486 ' HA ' ' C ' ' A' ' 21' ' ' PRO . 0.4 OUTLIER -88.95 148.39 41.08 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.496 1.123 . . . . 0.0 110.013 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.486 ' C ' ' HA ' ' A' ' 20' ' ' SER . 18.3 Cg_endo -75.05 174.55 52.15 Favored 'Cis proline' 0 C--N 1.36 1.143 0 C-N-CA 120.999 -2.5 . . . . 0.0 110.976 0.033 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 4.49 4.7 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.489 1.784 . . . . 0.0 110.983 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -68.3 -36.05 78.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.262 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 25' ' ' ALA . . . -64.3 -12.53 51.13 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.45 1.094 . . . . 0.0 110.996 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.495 ' O ' ' CG ' ' A' ' 28' ' ' ARG . . . -39.03 -75.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 0.769 . . . . 0.0 109.299 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -39.78 -54.49 2.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 110.283 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.461 ' O ' ' N ' ' A' ' 30' ' ' VAL . 7.1 m -42.67 -38.33 2.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 110.373 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.495 ' CG ' ' O ' ' A' ' 25' ' ' ALA . 0.0 OUTLIER -40.2 -28.49 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 110.308 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.437 ' N ' ' C ' ' A' ' 27' ' ' THR . 5.7 mtm180 -62.07 -47.48 84.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 110.301 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.461 ' N ' ' O ' ' A' ' 27' ' ' THR . 1.1 p -77.85 -37.37 23.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.473 ' CG2' ' HA ' ' A' ' 73' ' ' TYR . 11.9 mt -60.3 -56.94 14.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.136 . . . . 0.0 109.344 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -45.3 -28.28 0.79 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 110.277 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.2 tptt -75.55 -43.05 50.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 109.314 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 31' ' ' ILE . 32.4 tp -70.82 -41.3 71.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 109.279 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.481 ' CB ' HG23 ' A' ' 77' ' ' VAL . . . -57.95 -46.28 85.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.433 ' NH1' ' OE2' ' A' ' 40' ' ' GLU . 18.0 ttt-85 -63.24 -59.95 4.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 110.304 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.526 ' CZ ' ' CD1' ' A' ' 45' ' ' LEU . 10.5 t80 -46.45 -45.68 18.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.981 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.448 ' C ' ' N ' ' A' ' 40' ' ' GLU . 6.7 t -66.92 -74.37 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.45 1.094 . . . . 0.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.461 ' CB ' HD12 ' A' ' 80' ' ' ILE . . . -38.74 -31.44 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.448 ' N ' ' C ' ' A' ' 38' ' ' VAL . 0.2 OUTLIER -61.22 -63.65 1.22 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 110.286 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -86.21 -69.7 1.33 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.482 1.114 . . . . 0.0 111.016 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 159.8 -141.5 7.53 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -29.1 8.6 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.448 1.762 . . . . 0.0 111.013 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -54.78 -32.15 59.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 110.329 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.564 ' N ' ' CD2' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -76.63 -40.91 47.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.339 179.95 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.51 -43.55 84.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.088 . . . . 0.0 110.271 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 8.7 mttt -66.05 -52.76 46.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 0.0 109.327 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 55.0 t -57.48 -36.71 54.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 109.343 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.434 ' CB ' HD12 ' A' ' 34' ' ' LEU . . . -55.05 -49.23 72.12 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.134 . . . . 0.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.472 ' HG2' ' CE1' ' A' ' 63' ' ' HIS . 6.5 mtt -57.65 -23.64 52.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 110.968 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -82.76 -47.86 11.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.292 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.94 -45.18 64.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.649 ' CD2' ' CD1' ' A' ' 59' ' ' PHE . 11.7 m-85 -103.67 24.34 11.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.972 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -41.15 -37.63 0.93 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.272 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -125.91 63.68 1.22 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.348 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.4 ' CB ' ' HB3' ' A' ' 53' ' ' TYR . 0.8 OUTLIER -135.25 120.83 14.02 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 0.0 109.286 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.404 ' O ' ' CG2' ' A' ' 60' ' ' THR . 18.2 Cg_endo -75.05 -18.67 18.42 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.452 1.764 . . . . 0.0 111.005 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -79.25 -41.93 27.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.331 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.649 ' CD1' ' CD2' ' A' ' 53' ' ' TYR . 0.7 OUTLIER -99.11 22.92 9.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.999 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.404 ' CG2' ' O ' ' A' ' 57' ' ' PRO . 5.1 t -69.87 -12.82 61.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.393 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.593 ' CE2' ' CD1' ' A' ' 59' ' ' PHE . 48.4 p90 -62.3 -38.72 90.47 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 110.969 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.438 ' N ' ' CD1' ' A' ' 61' ' ' PHE . 17.5 mt -40.41 -68.93 0.15 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.343 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.472 ' CE1' ' HG2' ' A' ' 50' ' ' MET . 14.4 m-70 -50.88 -74.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.589 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.63 97.13 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.436 1.085 . . . . 0.0 109.28 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 67' ' ' SER . 0.1 OUTLIER -65.09 -74.68 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.402 1.064 . . . . 0.0 109.294 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 16.6 m-80 -68.65 68.02 0.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 65' ' ' LYS . 0.9 OUTLIER -108.19 -72.29 0.73 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.521 1.138 . . . . 0.0 109.97 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.482 ' HA ' ' CD2' ' A' ' 71' ' ' LEU . 0.5 OUTLIER 167.45 -32.04 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 110.298 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -92.74 -37.35 12.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.291 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -54.65 -39.7 68.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 0.0 110.989 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.526 ' N ' ' CD1' ' A' ' 71' ' ' LEU . 0.1 OUTLIER -60.93 -43.55 98.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 109.282 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.438 ' N ' HG22 ' A' ' 19' ' ' VAL . 76.0 t80 -65.17 -47.62 76.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 0.0 111.021 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.473 ' HA ' ' CG2' ' A' ' 31' ' ' ILE . 1.3 t80 -42.28 -53.17 4.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 111.007 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -62.92 -33.88 76.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.293 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.444 ' HD2' ' CG2' ' A' ' 19' ' ' VAL . 0.0 OUTLIER -57.51 -75.81 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.324 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.446 ' O ' ' N ' ' A' ' 79' ' ' GLU . 0.3 OUTLIER -51.77 -34.32 39.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.329 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.481 HG23 ' CB ' ' A' ' 35' ' ' ALA . 1.4 t -47.08 -24.66 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.404 ' N ' ' C ' ' A' ' 76' ' ' LYS . . . -80.78 -41.83 22.74 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.46 ' OE1' ' CB ' ' A' ' 12' ' ' GLU . 12.1 tp10 -60.65 -46.37 90.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 110.278 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.461 HD12 ' CB ' ' A' ' 39' ' ' ALA . 0.0 OUTLIER -71.79 -38.23 64.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.411 ' CG ' ' O ' ' A' ' 77' ' ' VAL . 8.5 mmm-85 -47.3 -67.76 0.25 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.277 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.583 ' HG3' ' CD2' ' A' ' 11' ' ' TYR . 3.6 tmtt? -44.19 -54.92 5.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.556 1.16 . . . . 0.0 109.258 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 80' ' ' ILE . 0.4 OUTLIER -107.03 76.39 1.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.978 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -129.74 -103.46 1.05 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.465 1.103 . . . . 0.0 110.947 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -88.65 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.499 1.789 . . . . 0.0 111.017 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 172.75 161.63 0.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.427 1.08 . . . . 0.0 110.013 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 11.6 p -168.88 137.6 2.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 110.0 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.042 0 O-C-N 124.482 1.114 . . . . 0.0 110.982 -179.988 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 64.03 101.26 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 0.785 . . . . 0.0 109.992 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 t -177.55 -61.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.015 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.17 117.2 0.75 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.472 1.107 . . . . 0.0 111.006 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -178.37 85.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 0.75 . . . . 0.0 109.981 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.78 122.32 26.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.973 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.56 81.13 0.11 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.462 1.101 . . . . 0.0 110.992 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.5 pm0 -87.25 -19.93 27.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 0.76 . . . . 0.0 110.274 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.448 ' HA ' ' CD2' ' A' ' 11' ' ' TYR . 2.7 tt0 -65.99 -9.3 28.95 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.46 1.1 . . . . 0.0 110.313 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.428 ' O ' ' N ' ' A' ' 13' ' ' GLN . 8.7 m-20 -64.85 -12.25 46.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.582 ' CE1' ' HB3' ' A' ' 12' ' ' GLU . 4.6 p90 -50.1 -20.91 1.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 111.021 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.582 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 3.8 pt-20 -100.72 -19.43 16.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 110.296 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.428 ' N ' ' O ' ' A' ' 10' ' ' ASP . 0.7 OUTLIER -64.01 -11.68 31.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.273 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.467 ' HA ' ' CD1' ' A' ' 17' ' ' ILE . 31.4 m95 -84.19 -38.26 20.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 108.003 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.496 ' CD1' ' HD3' ' A' ' 76' ' ' LYS . 1.1 tp -57.09 -39.27 74.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -45.96 -32.18 2.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.355 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.467 ' CD1' ' HA ' ' A' ' 14' ' ' TRP . 0.1 OUTLIER -113.2 94.65 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.341 179.95 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.89 162.33 16.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.477 ' CG2' ' HA ' ' A' ' 72' ' ' TYR . 26.4 t -87.1 158.3 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.561 1.163 . . . . 0.0 109.343 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.479 ' HA ' ' C ' ' A' ' 21' ' ' PRO . 0.0 OUTLIER -108.09 154.55 41.14 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 109.951 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.479 ' C ' ' HA ' ' A' ' 20' ' ' SER . 18.1 Cg_endo -75.03 174.42 52.78 Favored 'Cis proline' 0 C--N 1.36 1.159 0 C-N-CA 121.008 -2.497 . . . . 0.0 110.99 0.034 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 4.05 5.1 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.505 1.792 . . . . 0.0 111.0 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -75.1 -14.48 60.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 110.325 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 25' ' ' ALA . . . -85.7 -12.63 71.67 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.454 1.096 . . . . 0.0 110.975 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.418 ' O ' ' CG ' ' A' ' 28' ' ' ARG . . . -39.93 -62.57 0.7 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 0.758 . . . . 0.0 109.323 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -59.06 -50.21 74.93 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.552 1.158 . . . . 0.0 110.293 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.495 ' O ' ' N ' ' A' ' 30' ' ' VAL . 24.9 m -41.77 -31.01 0.27 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 110.433 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.418 ' CG ' ' O ' ' A' ' 25' ' ' ALA . 0.2 OUTLIER -42.6 -26.58 0.13 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.14 . . . . 0.0 110.289 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.415 ' N ' ' C ' ' A' ' 27' ' ' THR . 1.1 mtm-85 -64.05 -40.83 97.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.278 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.495 ' N ' ' O ' ' A' ' 27' ' ' THR . 2.1 p -83.79 -32.95 9.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.436 ' O ' ' N ' ' A' ' 34' ' ' LEU . 9.6 mt -67.42 -57.76 8.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.141 . . . . 0.0 109.311 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 31' ' ' ILE . 15.5 mt-10 -36.1 -35.68 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 0.0 110.332 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.409 ' N ' ' O ' ' A' ' 31' ' ' ILE . 3.8 tptp -49.2 -54.11 18.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.287 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.562 ' CD1' ' CD1' ' A' ' 62' ' ' LEU . 0.5 OUTLIER -64.54 -43.57 93.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.284 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.471 ' HA ' ' CG1' ' A' ' 77' ' ' VAL . . . -52.33 -45.73 65.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 8.6 ttt180 -71.12 -60.75 2.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.15 . . . . 0.0 110.306 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.545 ' CZ ' HD11 ' A' ' 45' ' ' LEU . 22.6 t80 -44.47 -48.92 10.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 110.955 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.491 ' CG2' ' OH ' ' A' ' 73' ' ' TYR . 42.2 t -60.34 -75.88 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.483 ' HB1' ' CD1' ' A' ' 80' ' ' ILE . . . -40.96 -39.67 1.22 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -50.04 -67.11 0.29 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.306 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -85.64 -61.74 1.67 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.532 1.145 . . . . 0.0 111.03 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 38' ' ' VAL . . . 149.79 -139.44 7.39 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -33.47 4.55 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.51 1.795 . . . . 0.0 110.986 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.97 -30.54 47.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.353 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.557 ' N ' ' CD2' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -72.92 -54.61 8.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.138 . . . . 0.0 109.281 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -49.09 -25.99 2.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 110.299 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.82 -50.94 7.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 72.5 t -61.41 -33.41 56.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.341 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.448 ' O ' ' CD2' ' A' ' 53' ' ' TYR . . . -55.39 -46.18 76.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.138 . . . . 0.0 109.305 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 12.8 mtt -63.84 -15.89 59.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.547 1.154 . . . . 0.0 111.035 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -89.04 -44.67 10.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.132 . . . . 0.0 110.311 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.04 -38.67 88.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.448 ' CD2' ' O ' ' A' ' 49' ' ' ALA . 20.5 m-85 -102.99 18.03 22.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 111.039 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.81 -27.68 5.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -130.44 62.33 1.59 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -134.49 119.19 14.0 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.494 ' O ' ' CG2' ' A' ' 60' ' ' THR . 18.2 Cg_endo -74.97 -25.01 12.34 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.555 1.818 . . . . 0.0 110.981 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -75.14 -47.22 29.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.585 ' HA ' ' CE2' ' A' ' 61' ' ' PHE . 0.2 OUTLIER -96.54 22.31 8.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 110.992 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.494 ' CG2' ' O ' ' A' ' 57' ' ' PRO . 4.9 t -66.58 -11.7 54.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.1 . . . . 0.0 110.427 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.698 ' CE1' ' CD1' ' A' ' 62' ' ' LEU . 44.1 p90 -64.89 -14.49 59.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 111.027 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.698 ' CD1' ' CE1' ' A' ' 61' ' ' PHE . 0.4 OUTLIER -58.86 -60.07 4.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -73.36 65.72 0.89 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.632 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.426 ' O ' ' CG ' ' A' ' 70' ' ' PHE . 0.5 OUTLIER -174.18 112.66 0.17 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.305 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.549 ' HG3' ' CE2' ' A' ' 70' ' ' PHE . 0.0 OUTLIER -104.94 46.14 0.93 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 109.254 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 171.4 42.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.267 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.405 ' O ' ' HB3' ' A' ' 68' ' ' ARG . 30.2 t -100.39 -82.21 0.46 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.985 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.451 ' HG2' ' N ' ' A' ' 69' ' ' GLU . 0.6 OUTLIER 175.96 -30.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.157 . . . . 0.0 110.272 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.451 ' N ' ' HG2' ' A' ' 68' ' ' ARG . 0.3 OUTLIER -91.29 -36.77 13.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 110.281 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.549 ' CE2' ' HG3' ' A' ' 65' ' ' LYS . 73.8 t80 -69.42 -24.41 63.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.132 . . . . 0.0 111.007 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.406 ' O ' ' HG2' ' A' ' 75' ' ' ARG . 43.7 mt -73.05 -59.44 2.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.244 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.477 ' HA ' ' CG2' ' A' ' 19' ' ' VAL . 83.5 t80 -55.05 -35.68 64.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.463 1.102 . . . . 0.0 111.002 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.59 ' CE1' HG13 ' A' ' 77' ' ' VAL . 1.9 t80 -52.26 -57.18 10.49 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.454 1.097 . . . . 0.0 110.981 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 2.2 mmm180 -65.57 -15.37 62.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 110.332 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.493 ' O ' ' CD1' ' A' ' 15' ' ' LEU . 1.7 mmt85 -86.27 -22.25 26.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.332 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.496 ' HD3' ' CD1' ' A' ' 15' ' ' LEU . 0.4 OUTLIER -93.92 -39.69 10.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.59 HG13 ' CE1' ' A' ' 73' ' ' TYR . 3.5 m -51.24 -46.57 33.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.103 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.426 ' N ' HG22 ' A' ' 77' ' ' VAL . . . -53.21 -45.49 68.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.34 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -57.62 -65.92 0.55 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.498 1.123 . . . . 0.0 110.308 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.483 ' CD1' ' HB1' ' A' ' 39' ' ' ALA . 0.0 OUTLIER -56.74 -41.15 74.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 109.347 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.49 ' CG ' ' O ' ' A' ' 77' ' ' VAL . 3.5 mmm180 -44.17 -68.59 0.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.31 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.582 ' HB3' ' CE2' ' A' ' 11' ' ' TYR . 1.3 mmtt -61.87 140.62 58.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.571 1.17 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -109.01 -44.74 3.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 109.951 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 146.09 -78.65 0.24 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.501 1.126 . . . . 0.0 110.997 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -88.6 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.504 1.791 . . . . 0.0 111.002 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 176.65 123.51 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 110.031 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 6.2 t -90.61 108.76 20.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.569 1.168 . . . . 0.0 110.0 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.52 1.137 . . . . 0.0 111.027 -179.991 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -116.37 147.37 41.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 0.787 . . . . 0.0 109.973 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.6 t -39.69 146.69 0.1 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.467 1.104 . . . . 0.0 110.037 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 47.65 -153.76 1.48 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.432 1.082 . . . . 0.0 110.988 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -119.1 117.38 28.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 0.738 . . . . 0.0 109.961 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.9 p -120.17 88.25 2.9 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.446 1.091 . . . . 0.0 110.01 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -93.14 113.98 4.58 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.504 1.127 . . . . 0.0 110.972 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -138.36 -81.83 0.32 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 0.733 . . . . 0.0 110.308 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -86.36 -11.3 52.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 110.287 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.434 ' O ' ' N ' ' A' ' 13' ' ' GLN . 47.6 m-20 -60.21 -16.45 33.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.584 ' C ' ' CD1' ' A' ' 11' ' ' TYR . 1.1 p90 -48.16 -25.51 1.51 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.1 . . . . 0.0 111.023 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.577 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 1.0 OUTLIER -96.26 -22.8 17.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.125 . . . . 0.0 110.304 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.434 ' N ' ' O ' ' A' ' 10' ' ' ASP . 0.1 OUTLIER -58.54 -19.58 38.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 110.286 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 24.7 m95 -73.95 -37.1 64.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 107.972 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.475 HD11 ' CG ' ' A' ' 79' ' ' GLU . 5.6 mt -55.12 -22.8 18.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -63.04 -42.72 99.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 0.0 110.327 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.495 ' O ' ' CZ ' ' A' ' 75' ' ' ARG . 0.1 OUTLIER -102.29 94.56 3.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.454 1.096 . . . . 0.0 109.279 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.412 ' HA ' ' NH2' ' A' ' 75' ' ' ARG . 0.0 OUTLIER -73.85 160.23 31.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 0.0 109.307 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.465 ' CG2' ' HB2' ' A' ' 72' ' ' TYR . 0.9 OUTLIER -87.27 157.02 3.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.33 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.479 ' HA ' ' C ' ' A' ' 21' ' ' PRO . 5.3 p -111.1 153.51 43.88 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 110.015 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.479 ' C ' ' HA ' ' A' ' 20' ' ' SER . 18.4 Cg_endo -74.95 174.35 53.09 Favored 'Cis proline' 0 C--N 1.36 1.159 0 C-N-CA 120.999 -2.501 . . . . 0.0 111.021 -0.034 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 4.38 4.79 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.467 1.772 . . . . 0.0 111.065 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -68.69 -43.04 76.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.277 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -56.61 -18.39 23.52 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.496 1.123 . . . . 0.0 111.019 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.5 ' O ' ' CG ' ' A' ' 28' ' ' ARG . . . -45.9 -49.2 15.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 0.746 . . . . 0.0 109.304 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -68.05 -41.34 82.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 110.308 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 94.3 m -60.6 -14.84 22.63 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.51 1.131 . . . . 0.0 110.424 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.501 ' CZ ' ' OE2' ' A' ' 32' ' ' GLU . 0.0 OUTLIER -46.76 -36.65 7.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 110.244 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 9.0 mtm180 -55.51 -27.6 49.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.566 1.166 . . . . 0.0 110.338 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.484 ' CG1' ' CE2' ' A' ' 59' ' ' PHE . 99.6 t -95.27 -27.82 4.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.557 HD11 ' CD2' ' A' ' 72' ' ' TYR . 59.4 mt -74.79 -56.56 8.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.438 1.086 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.501 ' OE2' ' CZ ' ' A' ' 28' ' ' ARG . 82.0 mt-10 -41.07 -38.85 1.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 110.323 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.8 mmtm -60.65 -47.49 86.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 0.0 109.317 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.516 ' CD1' ' CD2' ' A' ' 62' ' ' LEU . 0.2 OUTLIER -63.32 -50.99 67.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.507 ' CB ' HG23 ' A' ' 77' ' ' VAL . . . -59.93 -40.21 88.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.3 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.401 ' O ' ' N ' ' A' ' 40' ' ' GLU . 33.5 ttt180 -65.05 -68.07 0.39 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 0.0 110.32 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.56 ' CZ ' HD13 ' A' ' 45' ' ' LEU . 25.7 t80 -44.83 -43.73 8.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 111.003 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.422 ' C ' ' N ' ' A' ' 40' ' ' GLU . 23.8 t -61.89 -76.33 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.461 ' HB1' ' CD1' ' A' ' 80' ' ' ILE . . . -45.42 -26.68 0.58 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.332 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.422 ' N ' ' C ' ' A' ' 38' ' ' VAL . 0.5 OUTLIER -64.49 -62.61 1.49 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 110.32 179.954 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -83.84 -60.52 1.95 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.562 1.164 . . . . 0.0 111.028 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 153.09 -142.7 9.49 Favored Glycine 0 CA--C 1.529 0.952 0 N-CA-C 111.024 -0.831 . . . . 0.0 111.024 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.454 ' O ' ' N ' ' A' ' 46' ' ' GLU . 18.4 Cg_endo -75.01 -46.96 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.477 1.777 . . . . 0.0 110.99 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -42.62 -31.53 0.47 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.284 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.56 HD13 ' CZ ' ' A' ' 37' ' ' PHE . 0.1 OUTLIER -68.05 -46.83 70.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 43' ' ' PRO . 2.6 tm-20 -60.33 -31.62 70.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 110.312 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.559 ' N ' ' CD ' ' A' ' 47' ' ' LYS . 0.1 OUTLIER -74.56 -36.58 63.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 109.349 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 23.7 t -77.43 -38.04 25.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -53.3 -43.74 67.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.11 . . . . 0.0 109.297 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 24.1 mtt -68.26 -12.46 61.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 111.002 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -98.26 -40.19 8.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 110.297 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.418 ' HB3' ' CE1' ' A' ' 53' ' ' TYR . 1.9 m-20 -62.58 -42.0 99.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.328 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.495 ' CD2' ' CD1' ' A' ' 59' ' ' PHE . 1.9 m-85 -108.95 31.13 5.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 110.976 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.91 -52.01 52.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -103.13 65.91 0.88 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.32 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -135.11 120.07 13.78 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.297 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -11.34 21.44 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.494 1.786 . . . . 0.0 110.973 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -91.81 -42.56 10.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.283 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.635 ' CD1' ' CE2' ' A' ' 61' ' ' PHE . 1.3 m-85 -99.41 20.95 12.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.14 . . . . 0.0 111.015 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 2.3 t -66.83 -12.64 59.79 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 110.404 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.635 ' CE2' ' CD1' ' A' ' 59' ' ' PHE . 46.4 p90 -64.19 -34.28 77.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.427 1.079 . . . . 0.0 110.978 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.516 ' CD2' ' CD1' ' A' ' 34' ' ' LEU . 35.5 mt -44.12 -54.3 5.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.338 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -73.62 58.3 0.59 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 109.567 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.4 t0 171.88 115.13 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.127 . . . . 0.0 109.317 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.566 ' HD2' ' CZ ' ' A' ' 70' ' ' PHE . 8.3 mmtp -68.03 -71.24 0.22 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 54.3 m-80 -79.61 72.63 6.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.32 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -108.32 -74.58 0.65 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.02 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.483 ' HA ' ' CD2' ' A' ' 71' ' ' LEU . 10.7 ptm180 170.74 -35.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 110.323 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.472 ' HG2' ' CD1' ' A' ' 31' ' ' ILE . 1.5 mt-10 -94.67 -32.38 13.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 110.335 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.566 ' CZ ' ' HD2' ' A' ' 65' ' ' LYS . 66.9 t80 -61.99 -36.89 82.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 110.997 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.549 ' N ' ' CD1' ' A' ' 71' ' ' LEU . 0.0 OUTLIER -63.51 -61.87 2.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 109.278 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.557 ' CD2' HD11 ' A' ' 31' ' ' ILE . 82.9 t80 -54.04 -29.27 43.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 111.0 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.499 ' O ' ' CG2' ' A' ' 77' ' ' VAL . 0.8 OUTLIER -78.9 -16.2 57.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 0.0 110.968 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.6 mmm180 -93.35 -38.6 11.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.29 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.495 ' CZ ' ' O ' ' A' ' 17' ' ' ILE . 0.1 OUTLIER -67.75 -42.41 81.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 110.338 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.463 ' O ' ' N ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -74.11 -32.51 63.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.341 179.941 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.507 HG23 ' CB ' ' A' ' 35' ' ' ALA . 0.9 OUTLIER -49.38 -23.56 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.118 . . . . 0.0 109.281 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -86.49 -34.13 20.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.475 ' CG ' HD11 ' A' ' 15' ' ' LEU . 22.4 tp10 -67.3 -39.82 85.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 110.282 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.461 ' CD1' ' HB1' ' A' ' 39' ' ' ALA . 0.0 OUTLIER -78.42 -40.09 24.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.411 ' O ' ' C ' ' A' ' 82' ' ' LYS . 3.1 mmm180 -42.65 -60.27 1.61 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 110.328 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.427 ' HG2' ' N ' ' A' ' 83' ' ' SER . 0.0 OUTLIER -39.86 146.93 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.427 ' N ' ' HG2' ' A' ' 82' ' ' LYS . 13.9 t 174.87 81.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 110.03 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 83' ' ' SER . . . -37.48 98.89 0.01 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.478 1.111 . . . . 0.0 110.961 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 55.7 4.0 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.487 1.782 . . . . 0.0 111.028 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 40.74 81.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.145 . . . . 0.0 110.003 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 14.7 m -135.25 -66.8 0.56 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.997 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.478 1.111 . . . . 0.0 110.993 -179.994 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -175.58 159.86 2.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 0.771 . . . . 0.0 109.984 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -170.33 95.57 0.24 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 109.974 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 81.85 134.26 1.79 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.502 1.126 . . . . 0.0 111.015 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.9 t -91.89 -54.22 3.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 0.744 . . . . 0.0 109.981 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -91.24 130.17 37.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.439 1.087 . . . . 0.0 109.999 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -124.07 75.6 0.38 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.522 1.139 . . . . 0.0 111.037 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.433 ' C ' ' N ' ' A' ' 10' ' ' ASP . 0.9 OUTLIER -108.36 -72.34 0.73 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 0.777 . . . . 0.0 110.29 -179.942 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.444 ' O ' ' CG ' ' A' ' 12' ' ' GLU . 3.2 mt-10 -40.01 -29.16 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 110.32 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 13' ' ' GLN . 0.7 OUTLIER -44.18 -35.75 2.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.303 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.595 ' C ' ' CD1' ' A' ' 11' ' ' TYR . 0.7 OUTLIER -49.22 -24.69 1.86 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 111.017 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.444 ' CG ' ' O ' ' A' ' 9' ' ' GLU . 0.0 OUTLIER -95.48 -21.34 18.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.291 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.441 ' N ' ' O ' ' A' ' 10' ' ' ASP . 0.0 OUTLIER -63.88 -11.62 29.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.132 . . . . 0.0 110.316 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 39.1 m95 -88.51 -30.29 19.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.127 . . . . 0.0 107.988 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.467 HD21 ' CG ' ' A' ' 79' ' ' GLU . 1.0 OUTLIER -56.38 -39.6 73.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.329 179.944 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -60.78 -19.35 59.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 110.278 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.425 ' HB ' ' NH1' ' A' ' 75' ' ' ARG . 0.8 OUTLIER -109.32 94.58 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.53 156.1 25.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.457 ' CG2' ' HA ' ' A' ' 72' ' ' TYR . 21.8 t -88.46 130.69 37.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.456 ' HA ' ' C ' ' A' ' 21' ' ' PRO . 0.0 OUTLIER -93.21 156.66 39.95 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.955 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.456 ' C ' ' HA ' ' A' ' 20' ' ' SER . 18.3 Cg_endo -74.98 174.31 53.33 Favored 'Cis proline' 0 C--N 1.361 1.193 0 C-N-CA 120.972 -2.512 . . . . 0.0 111.043 -0.043 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 4.45 4.72 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.486 1.782 . . . . 0.0 111.003 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -71.07 -24.26 62.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 110.321 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -71.07 -12.62 71.93 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.479 1.112 . . . . 0.0 111.05 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.405 ' O ' ' CG ' ' A' ' 28' ' ' ARG . . . -57.8 -19.61 29.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 0.773 . . . . 0.0 109.356 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -78.3 -40.21 37.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.327 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.421 ' O ' ' N ' ' A' ' 30' ' ' VAL . 63.6 m -83.08 -14.92 52.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.413 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.405 ' CG ' ' O ' ' A' ' 25' ' ' ALA . 0.4 OUTLIER -50.42 -22.88 2.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 0.0 110.29 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.6 mtp180 -76.72 -27.12 55.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.317 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.421 ' N ' ' O ' ' A' ' 27' ' ' THR . 64.8 t -95.16 -26.36 4.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 0.0 109.281 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.478 HD12 ' CG ' ' A' ' 69' ' ' GLU . 20.8 mt -69.9 -54.67 17.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -40.3 -35.32 0.4 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 110.318 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.4 tptp -58.54 -49.82 76.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 109.326 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.486 HD11 ' CD1' ' A' ' 62' ' ' LEU . 0.6 OUTLIER -54.78 -50.62 68.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.457 ' CB ' HG23 ' A' ' 77' ' ' VAL . . . -57.97 -54.87 42.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.465 ' O ' ' CB ' ' A' ' 40' ' ' GLU . 16.4 ttt180 -59.15 -16.45 20.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 110.259 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.466 ' CD1' HD13 ' A' ' 45' ' ' LEU . 11.8 t80 -95.17 -25.56 16.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 110.981 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.455 ' C ' ' N ' ' A' ' 40' ' ' GLU . 23.7 t -94.55 -76.61 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.456 ' HB3' ' CD1' ' A' ' 80' ' ' ILE . . . -39.83 -29.44 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.465 ' CB ' ' O ' ' A' ' 36' ' ' ARG . 4.7 tp10 -66.24 -67.84 0.42 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 110.295 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -77.4 -64.22 2.12 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.503 1.127 . . . . 0.0 111.001 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 154.07 -145.75 13.32 Favored Glycine 0 CA--C 1.53 0.986 0 N-CA-C 110.976 -0.849 . . . . 0.0 110.976 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -29.54 8.15 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.451 1.763 . . . . 0.0 110.99 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -53.64 -31.0 45.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 0.0 110.311 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.55 ' N ' ' CD2' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -77.16 -37.39 53.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -66.48 -22.1 66.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 110.287 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.6 mttt -92.76 -40.87 10.44 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 93.9 t -73.76 -30.44 28.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 109.313 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.426 ' CB ' ' O ' ' A' ' 45' ' ' LEU . . . -63.26 -46.72 85.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 109.339 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 1.8 mtt -56.36 -20.12 17.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 110.993 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -98.16 -24.99 15.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 110.309 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.42 ' HB3' ' CE1' ' A' ' 53' ' ' TYR . 2.5 t0 -75.69 -35.89 60.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.647 ' CD2' ' CD2' ' A' ' 59' ' ' PHE . 1.9 m-85 -113.3 25.58 11.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 110.972 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 16.8 tttt -46.98 -48.11 21.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.322 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -113.21 79.41 1.23 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 0.0 109.262 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -133.21 119.77 15.71 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.29 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -14.25 21.24 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.506 1.793 . . . . 0.0 111.0 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -98.39 -42.43 7.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 109.315 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.647 ' CD2' ' CD2' ' A' ' 53' ' ' TYR . 0.2 OUTLIER -87.44 34.39 0.7 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.477 1.11 . . . . 0.0 110.992 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 64.4 p -71.86 -16.4 62.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 110.405 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.45 ' CE1' ' HA ' ' A' ' 59' ' ' PHE . 41.1 p90 -65.24 -17.94 64.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.999 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.486 ' CD1' HD11 ' A' ' 34' ' ' LEU . 0.9 OUTLIER -50.96 -71.21 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 7.3 m-70 -43.83 -68.12 0.22 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 109.604 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -39.86 127.67 2.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.245 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.573 ' HA ' ' CD2' ' A' ' 70' ' ' PHE . 6.7 mttt -121.51 39.03 3.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.334 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 172.46 50.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 109.282 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.431 ' O ' ' HB3' ' A' ' 68' ' ' ARG . 1.3 t -106.31 -72.28 0.72 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.981 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.498 ' HG2' ' N ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER 173.41 -30.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 110.304 -179.941 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.498 ' N ' ' HG2' ' A' ' 68' ' ' ARG . 1.2 mp0 -88.66 -38.98 14.37 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.466 1.104 . . . . 0.0 110.295 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.573 ' CD2' ' HA ' ' A' ' 65' ' ' LYS . 93.1 t80 -64.32 -41.01 97.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 111.004 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.426 ' CD2' ' H ' ' A' ' 71' ' ' LEU . 1.7 mm? -67.63 -40.81 84.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.457 ' HA ' ' CG2' ' A' ' 19' ' ' VAL . 78.3 t80 -62.89 -37.53 87.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 110.955 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.597 ' O ' ' CD1' ' A' ' 73' ' ' TYR . 0.2 OUTLIER -60.71 -20.0 60.09 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.966 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 7.4 mtm180 -92.92 -12.98 29.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.309 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.425 ' NH1' ' HB ' ' A' ' 17' ' ' ILE . 25.9 mmt180 -78.19 -75.87 0.21 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.557 1.161 . . . . 0.0 110.338 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.461 ' O ' ' N ' ' A' ' 79' ' ' GLU . 0.4 OUTLIER -46.82 -32.53 3.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.283 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.517 ' CG2' ' O ' ' A' ' 73' ' ' TYR . 1.2 t -44.66 -53.77 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.138 . . . . 0.0 109.293 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -52.47 -34.09 47.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.467 ' CG ' HD21 ' A' ' 15' ' ' LEU . 1.4 tm-20 -66.31 -62.74 1.31 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 110.28 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.456 ' CD1' ' HB3' ' A' ' 39' ' ' ALA . 0.0 OUTLIER -59.04 -34.19 52.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.309 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.42 ' HG2' ' CB ' ' A' ' 39' ' ' ALA . 9.2 mmm180 -49.27 -61.35 2.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.487 1.117 . . . . 0.0 110.276 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.504 ' C ' ' CD ' ' A' ' 82' ' ' LYS . 0.1 OUTLIER -40.12 154.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.421 ' N ' ' HG2' ' A' ' 82' ' ' LYS . 8.4 t -153.61 105.7 2.84 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.493 1.12 . . . . 0.0 109.994 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -87.8 -116.78 1.23 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.461 1.101 . . . . 0.0 110.977 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -83.44 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.49 1.784 . . . . 0.0 111.014 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 174.73 115.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.007 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 9.3 p 67.93 108.32 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 110.006 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 O-C-N 124.498 1.124 . . . . 0.0 111.011 -179.962 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -163.74 -57.99 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 0.783 . . . . 0.0 109.977 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -93.19 146.25 23.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 110.011 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 135.66 -107.29 0.62 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.477 1.11 . . . . 0.0 111.005 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 m -54.92 170.43 0.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 0.767 . . . . 0.0 109.969 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.4 m -67.41 124.19 22.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.96 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -153.95 -62.05 0.01 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.448 1.093 . . . . 0.0 110.997 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 39.9 37.28 0.34 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 0.798 . . . . 0.0 110.291 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.461 ' HA ' ' CD2' ' A' ' 11' ' ' TYR . 0.4 OUTLIER -43.75 -26.56 0.26 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.272 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.425 ' O ' ' N ' ' A' ' 13' ' ' GLN . 12.0 m-20 -48.84 -24.01 1.29 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.449 1.093 . . . . 0.0 109.289 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.573 ' CE2' ' HG3' ' A' ' 82' ' ' LYS . 2.8 p90 -50.43 -23.55 2.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 110.972 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.524 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 0.4 OUTLIER -95.54 -19.32 19.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 110.343 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.425 ' N ' ' O ' ' A' ' 10' ' ' ASP . 0.2 OUTLIER -63.8 -12.47 35.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 110.263 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.461 ' HA ' ' CD1' ' A' ' 17' ' ' ILE . 32.6 m95 -82.38 -11.38 58.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 0.0 108.035 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.538 ' CD2' ' HG2' ' A' ' 76' ' ' LYS . 40.0 mt -75.25 -32.99 61.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 109.312 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -55.68 -34.33 64.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 110.278 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.461 ' CD1' ' HA ' ' A' ' 14' ' ' TRP . 0.2 OUTLIER -113.52 97.35 5.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 179.951 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.9 160.51 28.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 97.9 t -87.29 122.92 39.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.296 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.496 ' CB ' ' HA ' ' A' ' 21' ' ' PRO . 0.6 OUTLIER -77.29 161.3 73.28 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.014 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.496 ' HA ' ' CB ' ' A' ' 20' ' ' SER . 18.3 Cg_endo -74.99 174.14 54.22 Favored 'Cis proline' 0 C--N 1.359 1.128 0 C-N-CA 121.016 -2.493 . . . . 0.0 111.018 -0.019 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 4.01 5.1 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.467 1.772 . . . . 0.0 111.0 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -69.94 -23.78 63.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 110.332 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.432 ' O ' ' N ' ' A' ' 28' ' ' ARG . . . -59.38 -14.58 27.68 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.492 1.12 . . . . 0.0 110.978 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -44.04 -34.63 1.81 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 0.775 . . . . 0.0 109.301 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -85.14 -61.26 1.81 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.431 1.082 . . . . 0.0 110.295 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.439 ' O ' ' N ' ' A' ' 30' ' ' VAL . 3.4 m -49.92 -21.65 1.25 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.428 1.08 . . . . 0.0 110.399 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.432 ' N ' ' O ' ' A' ' 24' ' ' GLY . 5.9 tmm_? -49.9 -24.08 2.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.103 . . . . 0.0 110.329 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 44.7 mtp180 -74.43 -28.55 61.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.296 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.439 ' N ' ' O ' ' A' ' 27' ' ' THR . 8.4 p -95.33 -26.48 4.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.356 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.432 HD11 ' CG ' ' A' ' 69' ' ' GLU . 58.9 mt -74.53 -64.4 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.567 1.167 . . . . 0.0 109.306 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.432 ' O ' ' N ' ' A' ' 36' ' ' ARG . 7.7 mm-40 -38.18 -36.84 0.24 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.327 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.476 ' O ' ' N ' ' A' ' 37' ' ' PHE . 0.1 OUTLIER -50.09 -52.7 32.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.322 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.534 ' HG ' ' CE1' ' A' ' 73' ' ' TYR . 17.4 tp -60.38 -35.82 76.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.477 ' CB ' HG22 ' A' ' 77' ' ' VAL . . . -71.42 -27.94 63.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.499 ' O ' ' CG ' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -89.02 -26.33 21.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 0.0 110.294 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.476 ' N ' ' O ' ' A' ' 33' ' ' LYS . 44.7 t80 -83.22 -45.38 13.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.123 . . . . 0.0 111.032 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.42 ' C ' ' N ' ' A' ' 40' ' ' GLU . 11.3 t -67.91 -72.63 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 38' ' ' VAL . . . -40.1 -32.36 0.17 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 109.336 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.499 ' CG ' ' O ' ' A' ' 36' ' ' ARG . 2.7 mm-40 -55.25 -64.87 0.7 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.097 . . . . 0.0 110.294 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -85.17 -58.1 2.14 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.449 1.093 . . . . 0.0 111.051 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 147.22 -142.74 10.54 Favored Glycine 0 CA--C 1.53 0.981 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -26.23 11.25 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.476 1.777 . . . . 0.0 111.055 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.491 ' O ' ' CG2' ' A' ' 48' ' ' VAL . 6.9 tt0 -57.9 -31.51 66.83 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.526 1.141 . . . . 0.0 110.27 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.569 ' N ' ' CD2' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -75.63 -35.85 60.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 109.287 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -67.27 -34.46 77.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.096 . . . . 0.0 110.281 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.5 mttt -77.96 -34.03 51.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.491 ' CG2' ' O ' ' A' ' 44' ' ' GLU . 78.5 t -80.43 -28.93 11.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.538 1.149 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.43 ' N ' ' O ' ' A' ' 45' ' ' LEU . . . -62.28 -46.08 90.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.568 1.168 . . . . 0.0 109.334 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.91 -19.44 12.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 111.013 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -97.61 -40.04 8.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 110.313 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.523 ' HB3' ' CD1' ' A' ' 53' ' ' TYR . 5.1 t70 -61.33 -43.24 99.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.267 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.561 ' N ' ' CD1' ' A' ' 53' ' ' TYR . 0.8 OUTLIER -109.53 30.02 7.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 111.02 -179.946 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 29.1 tttt -49.52 -25.34 2.61 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.472 1.108 . . . . 0.0 109.324 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -131.74 84.96 2.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.467 ' O ' ' CG2' ' A' ' 60' ' ' THR . 0.5 OUTLIER -135.09 119.19 13.34 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 109.306 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -16.43 20.13 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.462 1.77 . . . . 0.0 110.997 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -99.83 -43.63 6.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.503 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 0.2 OUTLIER -86.91 34.47 0.67 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 111.002 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.467 ' CG2' ' O ' ' A' ' 56' ' ' ASN . 68.3 p -69.36 -11.9 61.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.11 . . . . 0.0 110.422 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.503 ' CE1' ' HA ' ' A' ' 59' ' ' PHE . 44.5 p90 -72.82 -17.83 61.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.963 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.425 ' CD1' HD21 ' A' ' 34' ' ' LEU . 1.4 tp -51.41 -71.36 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.405 ' CD2' ' H ' ' A' ' 63' ' ' HIS . 4.5 m-70 -55.23 -66.06 0.48 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.155 . . . . 0.0 109.625 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -64.97 91.63 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.57 ' HG3' ' CZ ' ' A' ' 70' ' ' PHE . 0.1 OUTLIER -58.72 -58.59 7.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.292 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 16.5 m-80 -73.74 63.39 0.86 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.559 1.162 . . . . 0.0 109.302 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.404 ' O ' ' HB3' ' A' ' 68' ' ' ARG . 34.9 t -108.42 -79.72 0.58 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 110.043 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.474 ' HG2' ' N ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER 174.33 -30.62 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 110.245 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.474 ' N ' ' HG2' ' A' ' 68' ' ' ARG . 0.2 OUTLIER -87.94 -42.57 12.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.291 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.57 ' CZ ' ' HG3' ' A' ' 65' ' ' LYS . 79.6 t80 -52.54 -43.75 65.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 110.983 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.469 ' N ' ' CD1' ' A' ' 71' ' ' LEU . 0.1 OUTLIER -64.04 -60.16 3.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 49.6 t80 -50.56 -25.51 4.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 111.003 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.534 ' CE1' ' HG ' ' A' ' 34' ' ' LEU . 0.5 OUTLIER -81.74 -48.5 11.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 110.984 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.66 -18.97 65.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 110.245 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 69.7 mmt-85 -67.75 -76.72 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 110.27 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.538 ' HG2' ' CD2' ' A' ' 15' ' ' LEU . 0.3 OUTLIER -53.58 -25.39 17.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.477 HG22 ' CB ' ' A' ' 35' ' ' ALA . 0.9 OUTLIER -48.19 -36.69 6.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 0.0 109.298 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -74.42 -31.0 62.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.466 ' N ' ' O ' ' A' ' 76' ' ' LYS . 15.8 tp10 -71.08 -51.49 24.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.246 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -68.24 -39.31 80.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.15 . . . . 0.0 109.292 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 5.2 mmm180 -39.01 -59.1 1.02 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.312 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.573 ' HG3' ' CE2' ' A' ' 11' ' ' TYR . 0.4 OUTLIER -41.85 -71.68 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.512 ' CB ' ' O ' ' A' ' 82' ' ' LYS . 0.9 OUTLIER 87.01 -44.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.979 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 109.62 -82.75 0.31 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.49 1.119 . . . . 0.0 110.988 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 164.01 34.14 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.485 1.782 . . . . 0.0 110.981 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.66 158.46 2.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.024 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 72.9 p -114.71 140.12 49.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 110.046 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.484 1.115 . . . . 0.0 111.004 -179.983 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 N-CA-C 111.031 -0.827 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.8 m -67.72 152.68 45.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.548 0.793 . . . . 0.0 110.051 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -104.14 97.39 7.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 109.981 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 88.38 172.42 46.85 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.51 1.131 . . . . 0.0 110.982 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -128.92 107.14 9.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 0.772 . . . . 0.0 110.012 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.11 136.21 49.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.002 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 147.57 -147.11 17.55 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.5 1.125 . . . . 0.0 111.002 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -112.23 68.68 0.67 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 0.77 . . . . 0.0 110.275 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.417 ' HA ' ' CD2' ' A' ' 11' ' ' TYR . 15.2 tt0 -39.88 -32.07 0.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 110.346 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.454 ' O ' ' N ' ' A' ' 13' ' ' GLN . 31.7 m-20 -45.2 -27.7 0.66 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.329 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.546 ' C ' ' CD1' ' A' ' 11' ' ' TYR . 2.3 p90 -47.63 -23.44 0.67 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.986 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.473 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 9.6 pt-20 -97.14 -25.16 15.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.291 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.454 ' N ' ' O ' ' A' ' 10' ' ' ASP . 0.1 OUTLIER -61.51 -13.86 24.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.103 . . . . 0.0 110.275 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 27.1 m95 -83.86 -36.77 23.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 108.009 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.494 ' CD1' ' O ' ' A' ' 75' ' ' ARG . 0.5 OUTLIER -52.67 -36.94 57.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -59.2 -19.53 46.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 110.255 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -113.2 93.93 2.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 109.344 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.41 156.02 28.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.118 . . . . 0.0 109.313 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -88.54 157.14 3.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.11 . . . . 0.0 109.252 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.473 ' HA ' ' C ' ' A' ' 21' ' ' PRO . 0.0 OUTLIER -101.3 152.84 38.04 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.556 1.16 . . . . 0.0 110.029 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.473 ' C ' ' HA ' ' A' ' 20' ' ' SER . 18.3 Cg_endo -75.09 174.37 53.08 Favored 'Cis proline' 0 C--N 1.36 1.144 0 C-N-CA 120.973 -2.511 . . . . 0.0 110.998 0.076 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 4.6 4.63 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.499 1.789 . . . . 0.0 110.966 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -75.38 -25.01 57.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 110.289 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -65.35 -12.86 57.04 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.519 1.137 . . . . 0.0 110.983 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.467 ' O ' ' CG ' ' A' ' 28' ' ' ARG . . . -45.31 -74.58 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.525 0.779 . . . . 0.0 109.285 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -46.97 -43.81 19.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.34 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.437 ' O ' ' N ' ' A' ' 30' ' ' VAL . 1.6 m -51.53 -24.51 5.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.155 . . . . 0.0 110.395 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.467 ' CG ' ' O ' ' A' ' 25' ' ' ALA . 0.3 OUTLIER -44.39 -25.66 0.27 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 110.261 -179.942 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.405 ' N ' ' C ' ' A' ' 27' ' ' THR . 29.1 mtm180 -66.96 -42.3 85.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 110.348 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.437 ' N ' ' O ' ' A' ' 27' ' ' THR . 1.9 p -82.6 -32.12 10.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.325 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.519 HD11 ' CD2' ' A' ' 72' ' ' TYR . 65.9 mt -67.23 -58.16 7.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -43.74 -36.43 2.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 110.283 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.4 tptt -50.67 -53.19 33.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.449 1.093 . . . . 0.0 109.305 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.461 ' CD1' HD23 ' A' ' 62' ' ' LEU . 0.4 OUTLIER -61.94 -46.08 90.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.32 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -52.42 -51.2 60.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 109.322 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.415 ' O ' ' CB ' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -64.72 -15.85 62.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 110.284 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.41 ' CG ' HD12 ' A' ' 45' ' ' LEU . 11.8 t80 -95.12 -24.05 17.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.987 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.51 ' CG2' ' OH ' ' A' ' 73' ' ' TYR . 25.6 t -91.33 -76.58 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.47 ' HB2' ' CD1' ' A' ' 80' ' ' ILE . . . -40.7 -28.87 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.446 ' N ' ' C ' ' A' ' 38' ' ' VAL . 2.7 tt0 -65.38 -62.11 1.72 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 110.335 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -85.85 -58.34 2.03 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.493 1.121 . . . . 0.0 110.994 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 38' ' ' VAL . . . 147.8 -144.47 12.46 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 110.984 -0.847 . . . . 0.0 110.984 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -33.65 4.37 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.508 1.793 . . . . 0.0 110.958 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -48.58 -35.95 14.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 110.313 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.526 ' N ' ' CD2' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -71.18 -59.29 2.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.297 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -40.21 -29.79 0.08 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.098 . . . . 0.0 110.314 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.421 ' N ' ' C ' ' A' ' 45' ' ' LEU . 0.2 OUTLIER -84.04 -51.8 6.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.263 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 47.8 t -56.78 -40.35 70.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.304 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -48.54 -49.97 34.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 109.277 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 11.8 mtt -58.44 -17.1 18.16 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.549 1.156 . . . . 0.0 111.037 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -96.93 -49.82 4.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.305 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -53.92 -32.7 54.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.338 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -121.11 30.77 6.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 0.0 111.047 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.1 tptp -46.95 -43.93 19.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -109.51 76.09 0.98 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.268 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.467 ' O ' ' CG2' ' A' ' 60' ' ' THR . 1.4 t-20 -133.09 119.22 15.55 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -14.33 21.15 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.499 1.789 . . . . 0.0 111.037 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -98.33 -45.03 6.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.266 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.471 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 0.5 OUTLIER -86.45 37.11 0.72 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 111.037 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.467 ' CG2' ' O ' ' A' ' 56' ' ' ASN . 64.0 p -76.06 -12.3 60.1 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.445 1.091 . . . . 0.0 110.349 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.471 ' CE1' ' HA ' ' A' ' 59' ' ' PHE . 48.4 p90 -67.23 -33.53 75.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 111.02 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.461 HD23 ' CD1' ' A' ' 34' ' ' LEU . 11.0 mt -45.97 -68.02 0.23 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 12.6 m-70 -51.51 -64.0 0.95 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.615 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -67.11 90.35 0.2 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 0.0 109.267 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.479 ' HG2' ' CZ ' ' A' ' 70' ' ' PHE . 31.7 mtpt -57.8 -25.15 60.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 109.284 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 38.8 p30 -110.07 60.67 0.6 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 109.306 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.425 ' O ' ' HB3' ' A' ' 68' ' ' ARG . 37.9 t -102.84 -77.56 0.56 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.502 1.126 . . . . 0.0 110.037 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.49 ' HG2' ' N ' ' A' ' 69' ' ' GLU . 0.1 OUTLIER 174.73 -29.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.297 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.49 ' N ' ' HG2' ' A' ' 68' ' ' ARG . 0.4 OUTLIER -92.13 -42.76 9.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.315 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.479 ' CZ ' ' HG2' ' A' ' 65' ' ' LYS . 63.7 t80 -57.26 -25.21 58.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.537 1.148 . . . . 0.0 110.955 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 19.1 mt -73.59 -60.85 2.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 109.332 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.519 ' CD2' HD11 ' A' ' 31' ' ' ILE . 78.5 t80 -57.7 -26.23 61.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 111.012 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.51 ' OH ' ' CG2' ' A' ' 38' ' ' VAL . 2.6 t80 -60.09 -60.09 4.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 110.99 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.466 ' HG2' ' CE2' ' A' ' 73' ' ' TYR . 9.6 mmm-85 -63.47 -14.26 48.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 110.301 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.494 ' O ' ' CD1' ' A' ' 15' ' ' LEU . 11.3 mmt180 -86.99 -25.59 24.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 110.342 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.427 ' O ' ' N ' ' A' ' 79' ' ' GLU . 0.5 OUTLIER -91.69 -41.44 10.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.294 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.479 ' CG1' ' O ' ' A' ' 73' ' ' TYR . 4.3 m -46.93 -50.72 5.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 109.29 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.454 ' N ' ' CG2' ' A' ' 77' ' ' VAL . . . -48.76 -27.86 3.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.125 . . . . 0.0 109.347 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.453 ' CG ' HD21 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -70.22 -58.06 4.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.314 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.47 ' CD1' ' HB2' ' A' ' 39' ' ' ALA . 0.0 OUTLIER -67.21 -34.3 68.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.453 ' HG2' ' CB ' ' A' ' 39' ' ' ALA . 6.7 mmm180 -43.32 -49.28 6.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 110.297 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.25 146.39 0.19 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -178.19 -58.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 109.984 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 174.35 -170.57 43.71 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.467 1.104 . . . . 0.0 111.017 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 61.94 5.76 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.494 1.786 . . . . 0.0 111.016 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 56.04 96.82 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.562 1.164 . . . . 0.0 109.968 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.6 m -102.14 -60.88 1.46 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.553 1.158 . . . . 0.0 109.994 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.466 1.104 . . . . 0.0 110.961 -179.988 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.0 m -86.89 146.31 26.23 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.553 0.796 . . . . 0.0 109.999 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.8 p -86.82 97.75 10.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.035 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 146.27 54.11 0.02 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.539 1.149 . . . . 0.0 110.996 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.9 m -117.64 95.89 5.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 0.753 . . . . 0.0 110.008 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 98.1 p -69.84 100.19 1.5 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.99 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 104.76 -168.85 16.34 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.489 1.118 . . . . 0.0 111.028 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -144.01 97.09 3.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 0.74 . . . . 0.0 110.301 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -45.97 -25.23 0.52 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.272 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.459 ' O ' ' N ' ' A' ' 13' ' ' GLN . 11.2 m-20 -42.6 -32.74 0.6 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.572 ' C ' ' CD1' ' A' ' 11' ' ' TYR . 1.8 p90 -47.37 -23.23 0.55 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 110.991 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.47 ' HB2' ' CE1' ' A' ' 11' ' ' TYR . 16.8 tp10 -96.96 -26.41 15.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.257 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.459 ' N ' ' O ' ' A' ' 10' ' ' ASP . 1.5 pt20 -63.24 -12.09 26.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.318 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 29.3 m95 -88.33 -20.93 24.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 108.036 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.547 ' CD2' ' HG2' ' A' ' 76' ' ' LYS . 24.3 mt -69.9 -26.1 64.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -64.11 -36.17 83.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.282 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -101.73 94.68 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.455 ' NZ ' ' O ' ' A' ' 15' ' ' LEU . 27.8 mmtm -83.71 158.62 21.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.317 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -88.49 156.77 3.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.263 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.472 ' HA ' ' C ' ' A' ' 21' ' ' PRO . 6.3 m -103.04 154.98 37.18 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.431 1.082 . . . . 0.0 110.0 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.472 ' C ' ' HA ' ' A' ' 20' ' ' SER . 18.2 Cg_endo -75.0 174.57 52.04 Favored 'Cis proline' 0 C--N 1.36 1.141 0 C-N-CA 120.995 -2.502 . . . . 0.0 110.99 0.013 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 4.04 5.1 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.482 1.78 . . . . 0.0 110.981 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -69.61 -26.93 64.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 110.353 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -56.11 -16.97 15.4 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.523 1.139 . . . . 0.0 111.025 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -48.16 -38.77 18.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 0.77 . . . . 0.0 109.348 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -76.37 -54.0 7.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 110.292 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.421 HG22 ' CG1' ' A' ' 30' ' ' VAL . 1.4 m -56.2 -18.48 10.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 110.422 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.493 ' C ' ' CD ' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -42.69 -26.74 0.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 110.286 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.409 ' N ' ' C ' ' A' ' 27' ' ' THR . 1.5 mtp180 -69.59 -49.74 51.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 110.32 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.421 ' CG1' HG22 ' A' ' 27' ' ' THR . 1.4 p -76.03 -30.63 20.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.29 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.453 ' CG2' ' HA ' ' A' ' 73' ' ' TYR . 68.5 mt -65.04 -51.93 60.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.115 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -67.62 -24.82 65.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.249 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.0 tptp -59.05 -35.19 72.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.34 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 38' ' ' VAL . 0.3 OUTLIER -76.68 -58.48 3.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 109.326 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.481 ' CB ' HG23 ' A' ' 77' ' ' VAL . . . -47.07 -50.08 20.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.341 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.491 ' HA ' ' CD1' ' A' ' 80' ' ' ILE . 0.0 OUTLIER -56.87 -25.29 56.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.307 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.427 ' N ' ' O ' ' A' ' 34' ' ' LEU . 14.0 t80 -93.72 -30.02 15.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 110.995 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.45 ' N ' ' O ' ' A' ' 34' ' ' LEU . 25.4 t -81.0 -75.87 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.452 ' CB ' ' HG2' ' A' ' 81' ' ' ARG . . . -40.13 -30.2 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.44 ' N ' ' C ' ' A' ' 38' ' ' VAL . 1.7 tt0 -64.03 -64.36 0.91 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 110.312 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -78.4 -58.72 3.05 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.503 1.127 . . . . 0.0 111.055 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 145.11 -144.08 12.68 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -36.41 2.58 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.542 1.811 . . . . 0.0 111.003 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -48.59 -31.45 6.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 110.281 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.539 ' N ' ' CD2' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -72.46 -62.78 1.32 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 109.295 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.1 tm-20 -39.6 -29.94 0.06 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.112 . . . . 0.0 110.297 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.409 ' N ' ' O ' ' A' ' 45' ' ' LEU . 2.0 mttt -80.48 -57.96 3.34 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.542 1.151 . . . . 0.0 109.308 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 40.2 t -54.77 -38.37 43.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.273 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.465 ' O ' ' CD2' ' A' ' 53' ' ' TYR . . . -53.63 -54.47 37.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 1.8 mtt -55.28 -17.54 4.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 111.046 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -98.21 -36.83 9.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.295 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -64.8 -25.41 67.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.568 1.168 . . . . 0.0 109.255 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.585 ' CD2' ' CD2' ' A' ' 59' ' ' PHE . 5.0 m-85 -125.61 29.62 5.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 0.0 111.004 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.4 ttmt -47.92 -28.61 2.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.311 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 -130.65 76.32 1.71 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.519 1.137 . . . . 0.0 109.27 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -135.41 120.24 13.54 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.266 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -8.45 20.03 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.512 1.796 . . . . 0.0 110.984 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -99.61 -43.72 6.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.585 ' CD2' ' CD2' ' A' ' 53' ' ' TYR . 0.2 OUTLIER -88.23 33.65 0.74 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 111.012 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 58.2 p -72.78 -12.58 61.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 110.382 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.475 ' CE1' ' HA ' ' A' ' 59' ' ' PHE . 43.3 p90 -69.67 -33.67 72.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 111.013 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.5 mt -43.7 -68.49 0.19 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 109.337 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -69.27 68.29 0.2 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 109.584 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.0 t0 172.39 115.82 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.544 ' HA ' ' CD1' ' A' ' 70' ' ' PHE . 0.2 OUTLIER -79.06 -74.68 0.27 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.514 1.134 . . . . 0.0 109.248 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 26.2 p30 -77.77 73.69 4.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.323 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 11.2 t -116.24 -76.46 0.57 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.991 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 170.71 -32.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.293 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -94.13 -39.27 10.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.437 1.086 . . . . 0.0 110.336 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.544 ' CD1' ' HA ' ' A' ' 65' ' ' LYS . 41.0 t80 -65.44 -16.91 64.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.467 1.104 . . . . 0.0 111.006 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 11.9 mt -85.29 -65.6 0.99 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 67.5 t80 -51.86 -23.06 4.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 110.968 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.517 ' O ' ' CG2' ' A' ' 77' ' ' VAL . 1.7 t80 -76.09 -32.33 59.17 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.482 1.114 . . . . 0.0 110.986 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.91 -20.42 27.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 110.331 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 21.6 mmt180 -74.17 -32.78 63.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 110.306 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.547 ' HG2' ' CD2' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -93.36 -22.23 19.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.098 . . . . 0.0 109.261 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.517 ' CG2' ' O ' ' A' ' 73' ' ' TYR . 1.9 t -48.75 -33.51 5.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -76.07 -31.26 58.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.157 . . . . 0.0 109.301 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.477 ' N ' ' O ' ' A' ' 76' ' ' LYS . 0.1 OUTLIER -70.23 -49.07 53.85 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.504 1.128 . . . . 0.0 110.311 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.491 ' CD1' ' HA ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -72.37 -35.48 52.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.459 ' CG ' ' O ' ' A' ' 77' ' ' VAL . 7.1 mmm-85 -48.23 -55.72 9.78 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 110.276 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.449 ' HD3' ' CD2' ' A' ' 11' ' ' TYR . 0.5 OUTLIER -40.46 -66.6 0.3 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.258 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -128.68 108.71 10.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.004 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -141.91 73.44 0.37 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.442 1.089 . . . . 0.0 110.97 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -22.79 14.53 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.446 1.761 . . . . 0.0 111.024 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 71.19 164.68 0.28 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.985 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 31.4 t -75.16 142.03 43.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.96 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.478 1.111 . . . . 0.0 110.985 179.964 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 m -157.92 83.82 0.87 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 0.753 . . . . 0.0 109.971 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.4 p -161.86 131.3 4.56 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.551 1.157 . . . . 0.0 109.991 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -125.54 161.96 19.89 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.487 1.117 . . . . 0.0 110.968 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.96 120.35 0.16 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 0.786 . . . . 0.0 110.022 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.8 p -88.38 116.1 26.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.958 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 60.82 101.58 0.01 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.483 1.114 . . . . 0.0 110.978 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -153.51 148.95 27.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.534 0.784 . . . . 0.0 110.27 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.437 ' HA ' ' CD2' ' A' ' 11' ' ' TYR . 4.7 mt-10 -51.85 -20.55 2.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.286 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.44 ' O ' ' N ' ' A' ' 13' ' ' GLN . 27.3 m-20 -57.78 -17.26 14.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.563 ' CE2' ' CB ' ' A' ' 82' ' ' LYS . 3.2 p90 -49.38 -23.79 1.63 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 111.002 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.488 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 1.8 pt-20 -94.09 -22.68 18.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.356 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.44 ' N ' ' O ' ' A' ' 10' ' ' ASP . 0.2 OUTLIER -60.54 -14.11 17.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.324 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.472 ' HB3' ' NH1' ' A' ' 75' ' ' ARG . 27.9 m95 -79.89 -27.73 39.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 108.01 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.476 HD13 ' CG ' ' A' ' 79' ' ' GLU . 5.2 mt -62.81 -16.16 57.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -68.13 -32.77 73.29 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.465 1.103 . . . . 0.0 110.265 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.544 ' O ' ' NH2' ' A' ' 75' ' ' ARG . 0.1 OUTLIER -110.52 92.32 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.34 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.84 168.78 0.85 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.271 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.503 ' CG2' ' HB2' ' A' ' 72' ' ' TYR . 14.1 m -86.62 160.52 3.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 109.314 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.479 ' HA ' ' C ' ' A' ' 21' ' ' PRO . 0.8 OUTLIER -128.19 151.45 76.22 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.549 1.156 . . . . 0.0 110.006 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.479 ' C ' ' HA ' ' A' ' 20' ' ' SER . 18.5 Cg_endo -74.94 174.51 52.25 Favored 'Cis proline' 0 C--N 1.36 1.177 0 C-N-CA 120.967 -2.514 . . . . 0.0 111.027 -0.065 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 4.21 4.95 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.489 1.784 . . . . 0.0 111.002 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -75.7 -18.33 59.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 110.276 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -82.29 -12.62 80.38 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.483 1.114 . . . . 0.0 111.017 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.426 ' O ' ' CG ' ' A' ' 28' ' ' ARG . . . -56.43 -18.53 11.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 0.782 . . . . 0.0 109.305 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -73.68 -35.15 65.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.445 1.091 . . . . 0.0 110.279 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.45 ' O ' ' N ' ' A' ' 29' ' ' ARG . 1.6 m -88.94 -25.93 21.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 110.351 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.574 ' HB2' ' CE2' ' A' ' 72' ' ' TYR . 0.0 OUTLIER -38.91 -29.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.296 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 27' ' ' THR . 61.7 mtp180 -68.63 -55.74 10.51 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.538 1.149 . . . . 0.0 110.301 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.421 HG13 ' CG2' ' A' ' 27' ' ' THR . 1.4 p -63.19 -32.35 56.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.566 1.167 . . . . 0.0 109.344 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.477 ' CG2' ' HA ' ' A' ' 73' ' ' TYR . 5.5 mt -66.28 -45.41 89.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -41.61 -42.99 2.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.142 . . . . 0.0 110.37 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.46 ' O ' ' N ' ' A' ' 37' ' ' PHE . 7.0 mmmt -64.65 -43.16 94.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.334 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' A' ' 31' ' ' ILE . 0.8 OUTLIER -56.93 -52.0 66.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.476 ' CB ' HG22 ' A' ' 77' ' ' VAL . . . -58.81 -50.9 72.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 109.321 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.467 ' O ' ' CG ' ' A' ' 40' ' ' GLU . 68.6 ttt180 -61.41 -32.57 72.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.297 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.46 ' N ' ' O ' ' A' ' 33' ' ' LYS . 27.2 t80 -74.98 -46.16 37.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 111.022 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.414 ' O ' ' C ' ' A' ' 39' ' ' ALA . 3.8 t -67.41 -70.72 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.1 . . . . 0.0 109.292 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 38' ' ' VAL . . . -39.6 -37.96 0.56 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.432 1.083 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.467 ' CG ' ' O ' ' A' ' 36' ' ' ARG . 1.4 mm-40 -50.94 -66.29 0.41 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 110.289 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -84.53 -62.94 1.66 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.523 1.139 . . . . 0.0 111.0 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 152.29 -141.61 8.64 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -30.35 7.25 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.478 1.778 . . . . 0.0 110.988 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -54.97 -33.1 62.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.287 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.56 ' N ' ' CD2' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -71.11 -52.59 18.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.343 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.07 -27.98 9.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.277 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.24 -49.31 12.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.324 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 53.9 t -60.5 -41.66 88.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -53.66 -49.54 67.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 3.1 mtt -47.43 -23.07 0.53 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 111.043 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -96.28 -33.81 11.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.311 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 36.0 t0 -66.66 -41.95 87.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.807 ' CD2' ' CD2' ' A' ' 59' ' ' PHE . 8.6 m-85 -109.34 28.97 7.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 111.012 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.4 ttmt -50.66 -55.2 17.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -110.85 77.74 1.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.329 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -135.32 119.82 13.42 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.468 ' HA ' ' CG2' ' A' ' 60' ' ' THR . 18.2 Cg_endo -74.96 -3.3 13.72 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.503 1.791 . . . . 0.0 110.988 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -99.77 -46.43 5.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.807 ' CD2' ' CD2' ' A' ' 53' ' ' TYR . 0.7 OUTLIER -87.96 32.27 0.75 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 110.984 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.468 ' CG2' ' HA ' ' A' ' 57' ' ' PRO . 74.6 p -68.59 -12.19 60.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.406 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.515 ' CE1' ' HA ' ' A' ' 59' ' ' PHE . 46.2 p90 -70.64 -36.14 73.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.96 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.409 ' C ' ' O ' ' A' ' 61' ' ' PHE . 7.2 mt -39.61 -69.3 0.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 15.3 m-70 -42.67 -55.03 3.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.572 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -52.98 140.61 24.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.558 ' HA ' ' CD1' ' A' ' 70' ' ' PHE . 11.1 mtmt -138.75 42.8 2.13 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 171.68 41.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 109.279 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.3 t -110.14 -70.45 0.81 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 110.012 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.487 ' HG2' ' N ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER 174.79 -32.15 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.488 1.117 . . . . 0.0 110.315 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.487 ' N ' ' HG2' ' A' ' 68' ' ' ARG . 0.5 OUTLIER -79.66 -49.75 11.66 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 0.0 110.289 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.558 ' CD1' ' HA ' ' A' ' 65' ' ' LYS . 34.8 t80 -61.43 -17.35 53.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 111.007 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.433 ' O ' ' CG ' ' A' ' 75' ' ' ARG . 18.2 mt -79.8 -54.94 5.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.438 1.086 . . . . 0.0 109.237 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.574 ' CE2' ' HB2' ' A' ' 28' ' ' ARG . 89.5 t80 -57.76 -37.15 73.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 110.97 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.498 ' O ' ' CG2' ' A' ' 77' ' ' VAL . 0.8 OUTLIER -54.1 -52.7 60.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 111.012 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.71 -20.55 59.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.304 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.544 ' NH2' ' O ' ' A' ' 17' ' ' ILE . 2.3 mmm180 -68.24 -77.47 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.281 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.451 ' O ' ' N ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -49.13 -25.26 2.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.498 ' CG2' ' O ' ' A' ' 73' ' ' TYR . 1.2 t -51.34 -26.19 5.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -80.45 -30.82 37.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.355 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.488 ' HA ' ' CE1' ' A' ' 11' ' ' TYR . 35.7 tp10 -73.39 -55.6 6.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.269 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -61.1 -40.11 84.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.406 ' CG ' ' O ' ' A' ' 77' ' ' VAL . 1.7 mmm180 -47.5 -68.52 0.18 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.116 . . . . 0.0 110.311 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.563 ' CB ' ' CE2' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -60.62 129.97 44.22 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.137 . . . . 0.0 109.301 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 41.4 t -179.38 -62.97 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.996 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 158.97 98.82 0.14 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.493 1.12 . . . . 0.0 111.033 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 175.23 11.51 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.524 1.802 . . . . 0.0 110.962 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -174.69 -56.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.018 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 24.8 t -151.29 127.93 10.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.155 . . . . 0.0 110.028 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 O-C-N 124.546 1.154 . . . . 0.0 110.986 -179.99 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.3 m 61.74 99.71 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.467 0.745 . . . . 0.0 109.993 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 m -167.3 118.88 0.9 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.953 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 132.12 -146.46 18.11 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.497 1.123 . . . . 0.0 110.981 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 m -90.4 168.14 12.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 0.739 . . . . 0.0 109.996 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.3 m -110.37 100.31 9.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.982 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.73 128.04 0.99 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.472 1.107 . . . . 0.0 111.012 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 10' ' ' ASP . 38.5 tt0 -174.68 146.53 0.98 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 0.75 . . . . 0.0 110.304 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.482 ' O ' ' CG ' ' A' ' 12' ' ' GLU . 34.1 mt-10 -38.46 -30.59 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.543 1.152 . . . . 0.0 110.298 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.484 ' O ' ' N ' ' A' ' 13' ' ' GLN . 24.2 m-20 -41.01 -52.81 3.1 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.453 1.096 . . . . 0.0 109.312 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.571 ' CE1' ' HB3' ' A' ' 12' ' ' GLU . 0.2 OUTLIER -38.46 -29.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 110.991 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.571 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 2.7 pt-20 -110.58 -23.05 11.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.329 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.484 ' N ' ' O ' ' A' ' 10' ' ' ASP . 0.3 OUTLIER -73.19 -16.52 61.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.311 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 21.5 m95 -81.03 -8.76 59.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.155 . . . . 0.0 108.003 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.574 ' CD2' ' HG2' ' A' ' 76' ' ' LYS . 34.4 mt -77.42 -24.06 50.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -67.8 -47.03 70.25 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 110.276 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -92.13 95.22 5.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.269 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.16 159.43 27.41 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.468 1.105 . . . . 0.0 109.328 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.494 ' CG2' ' HB2' ' A' ' 72' ' ' TYR . 3.0 m -87.2 166.93 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.48 ' HA ' ' C ' ' A' ' 21' ' ' PRO . 59.1 m -112.37 150.8 43.12 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 0.0 110.052 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.48 ' C ' ' HA ' ' A' ' 20' ' ' SER . 18.4 Cg_endo -75.0 174.28 53.53 Favored 'Cis proline' 0 C--N 1.36 1.16 0 C-N-CA 121.0 -2.5 . . . . 0.0 111.036 0.014 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 4.41 4.78 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.506 1.793 . . . . 0.0 110.997 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 25' ' ' ALA . 3.1 tt0 -70.77 -39.79 73.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.344 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -38.43 -29.68 0.07 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.437 1.086 . . . . 0.0 111.003 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 23' ' ' GLU . . . -45.44 -39.79 7.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 0.765 . . . . 0.0 109.267 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -73.99 -48.13 32.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 110.283 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.459 ' O ' ' N ' ' A' ' 30' ' ' VAL . 92.6 m -63.67 -14.26 50.38 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.449 1.093 . . . . 0.0 110.386 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.452 ' O ' ' N ' ' A' ' 31' ' ' ILE . 0.3 OUTLIER -42.8 -56.02 3.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 110.266 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.433 ' N ' ' HD2' ' A' ' 28' ' ' ARG . 63.6 mtp180 -45.44 -26.29 0.54 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.255 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.521 HG12 ' CE2' ' A' ' 59' ' ' PHE . 63.1 t -95.05 -32.89 4.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.473 HD13 ' CG ' ' A' ' 69' ' ' GLU . 45.2 mt -72.61 -67.76 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.336 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.435 ' OE2' ' NE ' ' A' ' 28' ' ' ARG . 21.4 mt-10 -41.84 -31.34 0.31 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.128 . . . . 0.0 110.28 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.5 tptt -59.94 -48.62 80.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 109.291 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.462 ' CD2' HD21 ' A' ' 62' ' ' LEU . 48.9 tp -68.08 -45.72 73.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.469 ' CB ' HG22 ' A' ' 77' ' ' VAL . . . -54.14 -41.97 69.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 13.3 ttt-85 -71.07 -17.82 62.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 110.293 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 29.0 t80 -94.07 -33.86 13.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.1 . . . . 0.0 111.006 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.474 ' CG1' ' OH ' ' A' ' 73' ' ' TYR . 6.1 t -81.2 -75.95 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.462 1.102 . . . . 0.0 109.274 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.455 ' HB1' ' CD1' ' A' ' 80' ' ' ILE . . . -39.85 -29.96 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 38' ' ' VAL . 0.5 OUTLIER -62.74 -65.43 0.69 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 110.324 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -75.8 -52.8 6.19 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.473 1.108 . . . . 0.0 110.977 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 141.66 -147.44 18.99 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -33.15 4.76 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.468 1.772 . . . . 0.0 110.971 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -50.24 -32.15 15.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 110.263 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.514 ' N ' ' CD2' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -72.2 -61.26 1.86 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.334 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -40.31 -32.95 0.21 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 110.318 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -78.64 -57.28 3.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.428 ' O ' ' N ' ' A' ' 51' ' ' GLU . 67.9 t -52.98 -42.88 45.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.46 1.1 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -47.69 -53.0 16.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.408 ' CE ' ' O ' ' A' ' 62' ' ' LEU . 7.8 mtt -55.47 -17.54 5.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 111.0 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 48' ' ' VAL . 3.5 tp10 -99.41 -57.27 2.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 110.322 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.488 ' HB3' ' CE1' ' A' ' 53' ' ' TYR . 11.4 t0 -49.5 -38.46 30.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.246 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.546 ' N ' ' CD1' ' A' ' 53' ' ' TYR . 0.6 OUTLIER -109.16 32.95 4.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 111.018 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 53' ' ' TYR . 8.0 tttt -38.78 -30.98 0.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.437 ' N ' ' C ' ' A' ' 53' ' ' TYR . 4.5 m-20 -112.99 80.31 1.34 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.49 ' HB2' ' CB ' ' A' ' 59' ' ' PHE . 0.2 OUTLIER -107.99 120.41 47.06 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.09 . . . . 0.0 109.279 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -59.93 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.479 1.778 . . . . 0.0 110.954 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -96.81 -15.98 21.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.587 ' CD1' ' CE1' ' A' ' 61' ' ' PHE . 0.3 OUTLIER -88.37 28.18 1.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 111.024 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.467 ' CG2' ' O ' ' A' ' 56' ' ' ASN . 73.6 p -74.68 -12.43 60.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.437 1.086 . . . . 0.0 110.389 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.587 ' CE1' ' CD1' ' A' ' 59' ' ' PHE . 44.0 p90 -65.92 -13.39 59.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 111.021 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.462 HD21 ' CD2' ' A' ' 34' ' ' LEU . 9.3 mt -61.5 -59.54 5.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 8.8 p80 -73.89 -48.03 33.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.574 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -74.68 88.91 2.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.27 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.559 ' HD3' ' CZ ' ' A' ' 70' ' ' PHE . 1.0 OUTLIER -56.66 -54.16 49.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 27.3 m120 -83.49 65.3 8.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.133 . . . . 0.0 109.268 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.4 ' O ' ' HB3' ' A' ' 68' ' ' ARG . 8.0 t -108.47 -82.33 0.56 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 110.004 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.501 ' HG2' ' N ' ' A' ' 69' ' ' GLU . 0.1 OUTLIER 175.43 -30.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 110.315 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.501 ' N ' ' HG2' ' A' ' 68' ' ' ARG . 0.8 OUTLIER -92.46 -28.85 16.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 110.336 179.952 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.559 ' CZ ' ' HD3' ' A' ' 65' ' ' LYS . 87.6 t80 -63.8 -40.47 96.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 111.013 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.541 ' N ' ' CD1' ' A' ' 71' ' ' LEU . 0.0 OUTLIER -61.67 -49.67 75.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 109.294 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.494 ' HB2' ' CG2' ' A' ' 19' ' ' VAL . 42.9 t80 -61.49 -37.13 82.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 110.96 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.552 ' CD2' ' N ' ' A' ' 74' ' ' ARG . 1.6 t80 -62.4 -64.02 1.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 111.039 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.552 ' N ' ' CD2' ' A' ' 73' ' ' TYR . 0.0 OUTLIER -51.74 -28.56 15.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.26 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -64.61 -78.64 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 110.28 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.574 ' HG2' ' CD2' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -54.58 -23.43 16.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.508 HG23 ' CE1' ' A' ' 73' ' ' TYR . 1.0 OUTLIER -52.35 -24.03 5.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -80.35 -27.85 38.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 109.305 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 76' ' ' LYS . 8.0 tm-20 -71.04 -38.64 72.55 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 110.313 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.455 ' CD1' ' HB1' ' A' ' 39' ' ' ALA . 0.0 OUTLIER -81.34 -34.21 13.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.314 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 16.1 mmm-85 -49.78 -53.09 27.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.318 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.64 -165.47 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.148 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 70.11 25.55 4.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.981 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 74.85 85.85 0.29 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.514 1.134 . . . . 0.0 111.041 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -166.68 0.36 Allowed 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.515 1.797 . . . . 0.0 110.99 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -154.97 124.28 6.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 110.012 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 5.7 t -159.49 -61.17 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.437 1.086 . . . . 0.0 110.02 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.475 1.109 . . . . 0.0 111.001 -179.991 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.5 p 46.42 92.91 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 0.776 . . . . 0.0 110.016 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -179.92 146.52 0.25 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.102 . . . . 0.0 109.989 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -124.68 147.38 16.5 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.455 1.097 . . . . 0.0 110.996 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -154.81 164.23 39.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 0.762 . . . . 0.0 110.045 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.8 m -101.2 133.39 45.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 110.021 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.6 63.18 1.07 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.474 1.108 . . . . 0.0 110.974 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.445 ' N ' ' OD1' ' A' ' 10' ' ' ASP . 1.1 tp10 -134.83 -74.82 0.46 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 0.76 . . . . 0.0 110.311 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.542 ' HA ' ' CE2' ' A' ' 11' ' ' TYR . 4.1 pt-20 -38.7 -30.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 110.284 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.445 ' OD1' ' N ' ' A' ' 8' ' ' GLU . 8.2 p-10 -42.85 -28.34 0.24 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.626 ' CZ ' ' CB ' ' A' ' 82' ' ' LYS . 3.0 p90 -51.13 -20.57 1.54 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.157 . . . . 0.0 110.966 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.534 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 0.3 OUTLIER -100.34 -18.68 16.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 110.326 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.405 ' O ' HD11 ' A' ' 17' ' ' ILE . 0.7 OUTLIER -64.84 -11.05 33.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.143 . . . . 0.0 110.296 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.423 ' HA ' ' CD1' ' A' ' 17' ' ' ILE . 34.0 m95 -85.79 -37.99 18.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 107.975 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.503 ' CD1' ' O ' ' A' ' 75' ' ' ARG . 1.1 tp -57.72 -42.39 83.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -44.34 -39.84 4.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 110.273 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.423 ' CD1' ' HA ' ' A' ' 14' ' ' TRP . 0.5 OUTLIER -113.82 94.85 3.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.272 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 27.9 mmtm -62.58 174.04 1.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.303 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.499 ' CG1' ' HG3' ' A' ' 75' ' ' ARG . 0.9 OUTLIER -91.05 148.46 4.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.456 ' HA ' ' C ' ' A' ' 21' ' ' PRO . 0.4 OUTLIER -99.41 158.51 32.08 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.977 -179.956 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.456 ' C ' ' HA ' ' A' ' 20' ' ' SER . 18.5 Cg_endo -74.95 174.47 52.48 Favored 'Cis proline' 0 C--N 1.36 1.148 0 C-N-CA 121.029 -2.488 . . . . 0.0 111.006 -0.013 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 4.08 5.03 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.453 1.765 . . . . 0.0 110.996 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.14 -18.42 60.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 110.256 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.417 ' O ' ' N ' ' A' ' 28' ' ' ARG . . . -73.72 -12.31 80.71 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.554 1.159 . . . . 0.0 110.989 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.88 -17.93 11.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 0.785 . . . . 0.0 109.297 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -84.16 -30.49 25.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.1 . . . . 0.0 110.299 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.478 ' CG2' ' CG1' ' A' ' 30' ' ' VAL . 41.8 m -96.17 -20.86 18.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 110.408 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.564 ' HB2' ' CE2' ' A' ' 72' ' ' TYR . 0.0 OUTLIER -49.75 -23.48 1.83 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.309 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 84.2 mtt180 -75.43 -29.43 59.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.256 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.478 ' CG1' ' CG2' ' A' ' 27' ' ' THR . 9.5 p -95.31 -13.71 8.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 109.277 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.455 HG22 ' CD2' ' A' ' 72' ' ' TYR . 99.1 mt -82.26 -47.55 18.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 109.267 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -50.9 -29.04 10.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.321 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.5 tptp -56.9 -52.23 65.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.328 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.511 ' CD1' ' CD1' ' A' ' 62' ' ' LEU . 0.2 OUTLIER -63.84 -53.5 49.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.455 ' CB ' HG13 ' A' ' 77' ' ' VAL . . . -45.63 -46.8 14.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.145 . . . . 0.0 109.302 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.49 ' O ' ' CG ' ' A' ' 40' ' ' GLU . 28.3 ttt85 -68.19 -28.78 67.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.28 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.457 ' N ' ' O ' ' A' ' 34' ' ' LEU . 13.8 t80 -77.7 -43.21 31.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 110.979 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.457 HG22 ' CD2' ' A' ' 34' ' ' LEU . 22.2 t -66.18 -75.57 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.465 ' CB ' HD11 ' A' ' 80' ' ' ILE . . . -38.95 -30.81 0.05 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.49 ' CG ' ' O ' ' A' ' 36' ' ' ARG . 2.0 mm-40 -58.2 -67.39 0.35 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.105 . . . . 0.0 110.306 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -85.39 -53.12 3.18 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.481 1.113 . . . . 0.0 111.06 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 38' ' ' VAL . . . 140.57 -139.41 9.69 Favored Glycine 0 CA--C 1.53 0.971 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -32.04 5.8 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.473 1.775 . . . . 0.0 111.01 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -53.03 -33.48 52.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.282 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.554 ' N ' ' CD2' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -71.57 -57.73 4.14 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.487 1.117 . . . . 0.0 109.331 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.39 -32.55 1.38 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 110.292 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.0 mttt -74.78 -55.56 5.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.274 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.406 ' O ' ' N ' ' A' ' 51' ' ' GLU . 55.9 t -56.59 -45.46 82.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.26 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -47.09 -54.01 11.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.163 . . . . 0.0 109.277 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.8 -19.74 2.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 110.991 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' A' ' 48' ' ' VAL . 4.0 tp10 -96.07 -44.58 7.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.294 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.445 ' CG ' ' CE1' ' A' ' 53' ' ' TYR . 47.1 t0 -56.56 -43.31 79.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 0.0 109.321 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.445 ' CE1' ' CG ' ' A' ' 52' ' ' ASP . 2.6 m-85 -113.03 34.74 4.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 111.024 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 6.1 tttt -49.81 -38.96 36.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 109.315 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -119.88 82.67 1.92 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.47 ' O ' ' CG2' ' A' ' 60' ' ' THR . 0.4 OUTLIER -134.04 122.77 16.5 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -14.89 21.11 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.487 1.783 . . . . 0.0 110.993 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -98.92 -49.9 4.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.482 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 1.7 m-85 -83.72 37.56 0.59 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 111.005 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.47 ' CG2' ' O ' ' A' ' 56' ' ' ASN . 80.7 p -70.6 -13.72 62.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 110.401 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.531 ' CE2' HD13 ' A' ' 62' ' ' LEU . 47.3 p90 -68.79 -15.1 63.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.154 . . . . 0.0 111.033 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.531 HD13 ' CE2' ' A' ' 61' ' ' PHE . 0.5 OUTLIER -62.93 -48.6 78.22 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.448 1.092 . . . . 0.0 109.289 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.416 ' NE2' ' HA ' ' A' ' 60' ' ' THR . 11.4 p80 -86.44 -25.07 25.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.591 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -71.01 95.91 1.24 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.336 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.582 ' HA ' ' CE2' ' A' ' 70' ' ' PHE . 0.0 OUTLIER -89.88 47.64 1.48 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.297 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 13.4 p30 175.83 40.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.34 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 52.9 p -111.22 177.3 4.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.033 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.421 ' HG3' ' N ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -90.61 -18.43 25.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 110.298 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.422 ' CD ' ' HB3' ' A' ' 61' ' ' PHE . 1.4 pt-20 -96.02 -13.23 23.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 110.294 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.582 ' CE2' ' HA ' ' A' ' 65' ' ' LYS . 62.4 t80 -91.45 -24.59 19.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 111.005 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 43.9 mt -79.83 -53.72 6.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.248 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.564 ' CE2' ' HB2' ' A' ' 28' ' ' ARG . 41.2 t80 -53.69 -36.33 62.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 111.035 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.498 ' O ' ' CG1' ' A' ' 77' ' ' VAL . 0.1 OUTLIER -52.92 -44.41 66.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 110.998 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.444 ' O ' HG22 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -78.43 -11.97 59.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 110.289 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.503 ' O ' ' CD1' ' A' ' 15' ' ' LEU . 30.5 mmt-85 -87.19 -21.62 25.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.312 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.479 ' HD3' ' CD1' ' A' ' 15' ' ' LEU . 0.3 OUTLIER -91.12 -40.29 11.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.288 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.523 ' O ' ' CG ' ' A' ' 81' ' ' ARG . 5.2 m -50.85 -43.84 25.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.443 ' N ' HG23 ' A' ' 77' ' ' VAL . . . -56.65 -44.25 81.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.401 ' HB3' ' O ' ' A' ' 76' ' ' LYS . 20.4 tp10 -58.06 -60.82 3.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.46 1.1 . . . . 0.0 110.268 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.465 HD11 ' CB ' ' A' ' 39' ' ' ALA . 0.0 OUTLIER -62.58 -42.07 94.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.523 ' CG ' ' O ' ' A' ' 77' ' ' VAL . 5.5 mmm180 -38.42 -50.65 1.53 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.1 . . . . 0.0 110.3 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.626 ' CB ' ' CZ ' ' A' ' 11' ' ' TYR . 0.1 OUTLIER -41.49 124.33 2.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.312 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 5.0 t -178.9 -64.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 110.039 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -136.67 -159.68 8.43 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.498 1.124 . . . . 0.0 111.032 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 173.51 14.38 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.502 1.791 . . . . 0.0 110.978 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 5.4 t -172.81 128.8 0.5 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.013 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 8.3 t -178.64 133.88 0.14 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 109.985 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 O-C-N 124.481 1.113 . . . . 0.0 110.997 179.993 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.333 -0.247 . . . . 0.0 110.333 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.42 ' O ' ' N ' ' A' ' 13' ' ' GLN . 3.9 p30 -48.84 -24.21 1.36 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.142 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.572 ' CE2' ' HG3' ' A' ' 82' ' ' LYS . 0.9 OUTLIER -48.5 -31.29 6.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.098 . . . . 0.0 111.036 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.449 ' N ' ' CD1' ' A' ' 11' ' ' TYR . 6.2 pt-20 -88.66 -22.5 23.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.531 1.145 . . . . 0.0 110.296 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.42 ' N ' ' O ' ' A' ' 10' ' ' ASP . 0.2 OUTLIER -63.62 -11.71 27.38 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.49 1.119 . . . . 0.0 110.314 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 28.4 m95 -88.84 -43.67 11.05 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.577 HD11 ' HD3' ' A' ' 76' ' ' LYS . 0.7 OUTLIER -48.98 -24.65 1.58 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 109.305 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -63.99 -32.45 74.0 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.557 1.161 . . . . 0.0 110.248 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -110.39 94.82 3.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.466 1.104 . . . . 0.0 109.275 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.3 mmmm -81.34 171.55 14.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.269 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.654 HG11 ' N ' ' A' ' 72' ' ' TYR . 1.1 m -88.25 159.89 2.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.518 ' HA ' ' C ' ' A' ' 21' ' ' PRO . 55.2 p -110.51 150.55 41.83 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.132 . . . . 0.0 110.024 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.518 ' C ' ' HA ' ' A' ' 20' ' ' SER . 18.5 Cg_endo -74.93 174.41 52.75 Favored 'Cis proline' 0 C--N 1.36 1.141 0 C-N-CA 121.041 -2.483 . . . . 0.0 111.026 -0.043 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 4.26 4.9 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.477 1.777 . . . . 0.0 111.012 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -77.63 -14.53 59.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 110.278 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -56.36 -20.41 29.49 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.493 1.121 . . . . 0.0 110.995 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.01 -22.49 27.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 0.769 . . . . 0.0 109.359 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -69.37 -37.11 77.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 110.298 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.432 ' O ' ' N ' ' A' ' 30' ' ' VAL . 25.3 m -92.99 -15.04 26.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.397 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.419 ' HD2' ' N ' ' A' ' 29' ' ' ARG . 0.1 OUTLIER -45.14 -46.2 11.8 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.504 1.128 . . . . 0.0 110.294 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.419 ' N ' ' HD2' ' A' ' 28' ' ' ARG . 9.7 mtm-85 -53.83 -30.11 43.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 110.274 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.432 ' N ' ' O ' ' A' ' 27' ' ' THR . 42.3 t -91.3 -41.12 13.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.489 HG23 ' HB2' ' A' ' 73' ' ' TYR . 27.7 mt -58.27 -57.94 8.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 0.0 109.279 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -47.32 -30.15 2.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.308 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.4 tptt -62.58 -48.94 77.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.471 HD21 HD11 ' A' ' 62' ' ' LEU . 56.1 tp -58.79 -62.64 1.72 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.481 ' CB ' HG23 ' A' ' 77' ' ' VAL . . . -46.31 -55.88 6.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.275 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.435 ' O ' ' CB ' ' A' ' 40' ' ' GLU . 4.6 ttt180 -54.88 -23.61 19.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 110.268 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.524 ' O ' HD12 ' A' ' 45' ' ' LEU . 10.0 t80 -93.81 -21.22 19.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 111.01 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.441 ' N ' ' O ' ' A' ' 34' ' ' LEU . 27.0 t -92.79 -75.69 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.964 ' HB3' HD12 ' A' ' 80' ' ' ILE . . . -42.0 -27.85 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.241 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.438 ' N ' ' C ' ' A' ' 38' ' ' VAL . 3.8 tp10 -67.37 -62.31 1.48 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.099 . . . . 0.0 110.268 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -83.4 -59.54 2.12 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.558 1.161 . . . . 0.0 111.046 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 38' ' ' VAL . . . 148.95 -146.4 15.79 Favored Glycine 0 CA--C 1.53 0.975 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -30.77 6.92 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.478 1.778 . . . . 0.0 111.001 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -51.31 -36.29 41.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 110.296 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.541 ' N ' ' CD2' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -70.35 -53.54 16.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 0.0 109.328 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.32 -23.76 2.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 110.296 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -84.33 -38.76 19.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.273 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 47.1 t -73.43 -37.63 51.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.327 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -55.12 -42.36 72.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.298 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.691 ' HA ' HD23 ' A' ' 62' ' ' LEU . 20.5 mtt -58.93 -22.97 60.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.557 1.16 . . . . 0.0 111.054 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -93.78 -40.93 9.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 110.294 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -53.22 -46.6 69.16 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.803 ' CD2' ' CD2' ' A' ' 59' ' ' PHE . 0.6 OUTLIER -108.4 28.39 8.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 111.01 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -40.18 -46.27 2.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -116.99 73.98 0.89 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.413 ' OD1' ' HB3' ' A' ' 58' ' ' ALA . 1.2 t-20 -135.13 119.15 13.29 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.257 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.572 ' C ' HG23 ' A' ' 60' ' ' THR . 18.4 Cg_endo -75.03 0.09 9.35 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.513 1.796 . . . . 0.0 111.021 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.413 ' HB3' ' OD1' ' A' ' 56' ' ' ASN . . . -99.74 -45.46 5.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.287 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.803 ' CD2' ' CD2' ' A' ' 53' ' ' TYR . 0.9 OUTLIER -88.01 29.3 0.95 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 110.979 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.572 HG23 ' C ' ' A' ' 57' ' ' PRO . 61.1 p -63.53 -12.72 34.61 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.145 . . . . 0.0 110.315 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.541 ' CE1' ' HA ' ' A' ' 59' ' ' PHE . 39.5 p90 -74.14 -37.72 63.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 111.035 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.691 HD23 ' HA ' ' A' ' 50' ' ' MET . 2.4 tp -40.19 -71.45 0.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.4 ' O ' ' C ' ' A' ' 64' ' ' ASP . 2.9 m80 -47.88 -72.03 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.557 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 63' ' ' HIS . 11.4 m-20 -40.35 150.29 0.06 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.425 ' HE2' ' CE2' ' A' ' 70' ' ' PHE . 2.7 mtpt -130.41 37.26 3.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.261 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 9.0 p-10 -160.01 35.79 0.18 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 0.0 109.276 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.8 t -114.98 132.22 56.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 110.036 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.662 ' HA ' HD12 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -44.63 -31.78 1.26 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 110.332 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.46 ' N ' ' HG2' ' A' ' 68' ' ' ARG . 0.5 OUTLIER -63.15 -44.54 95.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 110.317 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.425 ' CE2' ' HE2' ' A' ' 65' ' ' LYS . 64.2 t80 -66.36 -16.37 64.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.098 . . . . 0.0 111.021 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.662 HD12 ' HA ' ' A' ' 68' ' ' ARG . 28.1 mt -86.75 -53.74 4.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.654 ' N ' HG11 ' A' ' 19' ' ' VAL . 52.6 t80 -55.84 -33.61 64.66 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.513 1.133 . . . . 0.0 111.01 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.489 ' HB2' HG23 ' A' ' 31' ' ' ILE . 0.9 OUTLIER -64.58 -31.98 73.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 111.011 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.58 -34.92 25.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.284 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.496 ' O ' ' CD1' ' A' ' 15' ' ' LEU . 13.1 mmt180 -63.09 -27.79 69.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 110.327 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.577 ' HD3' HD11 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -89.7 -37.7 14.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.368 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.481 HG23 ' CB ' ' A' ' 35' ' ' ALA . 1.5 t -48.89 -40.75 12.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.343 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.61 -29.77 69.43 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.457 1.098 . . . . 0.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 76' ' ' LYS . 1.2 tm-20 -72.49 -61.6 1.74 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.562 1.164 . . . . 0.0 110.311 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.964 HD12 ' HB3' ' A' ' 39' ' ' ALA . 0.0 OUTLIER -60.21 -35.48 62.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.461 1.1 . . . . 0.0 109.29 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.535 ' HG2' ' HB1' ' A' ' 39' ' ' ALA . 9.1 mmm180 -49.39 -60.69 2.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 110.325 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.572 ' HG3' ' CE2' ' A' ' 11' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.423 1.077 . . . . 0.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.338 -0.245 . . . . 0.0 110.338 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.419 ' O ' ' N ' ' A' ' 13' ' ' GLN . 0.7 OUTLIER -43.01 -32.43 0.65 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.336 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.58 ' C ' ' CD1' ' A' ' 11' ' ' TYR . 1.3 p90 -49.73 -21.56 1.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 111.022 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -100.64 -20.81 15.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.282 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.422 ' O ' HD11 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -64.19 -11.41 30.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.258 -179.956 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.747 ' O ' HD12 ' A' ' 17' ' ' ILE . 36.3 m95 -88.51 -31.9 18.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 107.957 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.652 HD22 ' CD ' ' A' ' 79' ' ' GLU . 0.9 OUTLIER -60.62 -31.48 70.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -54.56 -30.45 54.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.098 . . . . 0.0 110.342 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.747 HD12 ' O ' ' A' ' 14' ' ' TRP . 0.1 OUTLIER -112.33 94.98 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.267 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.94 173.18 3.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 109.293 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.612 HG21 ' CA ' ' A' ' 72' ' ' TYR . 78.9 t -97.21 141.03 16.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.269 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.518 ' HA ' ' C ' ' A' ' 21' ' ' PRO . 78.3 p -97.29 150.1 36.44 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.012 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.518 ' C ' ' HA ' ' A' ' 20' ' ' SER . 18.4 Cg_endo -75.01 174.32 53.34 Favored 'Cis proline' 0 C--N 1.36 1.141 0 C-N-CA 120.99 -2.504 . . . . 0.0 111.022 -0.022 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 4.4 4.76 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.423 1.749 . . . . 0.0 110.962 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -74.72 -31.32 61.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.438 1.086 . . . . 0.0 110.303 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -63.35 -13.67 50.79 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.541 1.151 . . . . 0.0 110.98 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.423 ' O ' ' CG ' ' A' ' 28' ' ' ARG . . . -53.49 -55.55 24.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 0.781 . . . . 0.0 109.343 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -57.88 -28.06 63.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 110.274 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 9.4 m -80.49 -15.04 57.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 110.402 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.426 ' CD ' ' CD ' ' A' ' 32' ' ' GLU . 0.5 OUTLIER -48.94 -29.88 5.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.274 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.412 ' N ' ' HG3' ' A' ' 28' ' ' ARG . 0.1 OUTLIER -64.78 -26.59 68.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 0.0 110.282 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 47.6 t -95.13 -21.41 5.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 109.269 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.551 HG21 ' HD2' ' A' ' 72' ' ' TYR . 38.6 mt -85.52 -55.83 6.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.426 ' CD ' ' CD ' ' A' ' 28' ' ' ARG . 88.5 mt-10 -42.24 -39.32 2.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 110.283 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.8 tppt? -58.61 -48.14 81.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.271 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.794 HD11 ' CD1' ' A' ' 62' ' ' LEU . 0.6 OUTLIER -52.83 -46.21 67.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 0.0 109.328 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.512 ' HB2' HG23 ' A' ' 77' ' ' VAL . . . -70.49 -61.05 1.92 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.161 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.494 ' O ' ' CG ' ' A' ' 40' ' ' GLU . 1.6 ttt85 -46.03 -27.3 0.9 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.282 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 18.0 t80 -88.55 -46.71 8.87 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 111.016 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.554 HG11 ' OH ' ' A' ' 73' ' ' TYR . 5.1 t -69.02 -72.01 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.896 ' HB3' HD12 ' A' ' 80' ' ' ILE . . . -39.24 -31.82 0.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.494 ' CG ' ' O ' ' A' ' 36' ' ' ARG . 5.7 mm-40 -62.91 -66.09 0.59 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 110.303 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -77.97 -66.65 1.73 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.526 1.141 . . . . 0.0 110.984 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 155.77 -144.29 10.76 Favored Glycine 0 CA--C 1.531 1.041 0 N-CA-C 110.956 -0.857 . . . . 0.0 110.956 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -33.43 4.6 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.5 1.79 . . . . 0.0 111.033 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.662 ' O ' HG23 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -51.44 -29.07 14.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.337 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.566 ' N ' ' CD2' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -77.69 -38.74 46.77 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.49 -40.58 95.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 110.314 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.4 mttt -68.94 -40.68 78.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.662 HG23 ' O ' ' A' ' 44' ' ' GLU . 70.0 t -70.32 -35.87 64.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.122 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -55.25 -43.53 74.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 6.4 mtt -65.9 -12.57 55.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 110.97 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -93.9 -42.13 9.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.337 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 39.0 t0 -66.18 -38.81 88.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.277 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.793 ' CD2' ' CD2' ' A' ' 59' ' ' PHE . 4.7 m-85 -107.53 29.14 7.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.989 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -44.78 -57.4 3.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.095 . . . . 0.0 109.332 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -114.93 82.2 1.69 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.44 1.088 . . . . 0.0 109.281 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.441 ' OD1' ' HB3' ' A' ' 58' ' ' ALA . 1.2 t-20 -135.08 120.09 13.82 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.586 ' C ' HG23 ' A' ' 60' ' ' THR . 18.3 Cg_endo -75.0 -1.4 11.18 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.531 1.806 . . . . 0.0 110.994 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.441 ' HB3' ' OD1' ' A' ' 56' ' ' ASN . . . -99.6 -46.01 5.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.443 1.089 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.793 ' CD2' ' CD2' ' A' ' 53' ' ' TYR . 0.8 OUTLIER -87.93 28.47 1.03 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 111.013 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.586 HG23 ' C ' ' A' ' 57' ' ' PRO . 60.3 p -60.99 -13.68 17.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.16 . . . . 0.0 110.406 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.643 ' HZ ' HD12 ' A' ' 34' ' ' LEU . 40.0 p90 -73.81 -36.74 65.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 111.01 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.794 ' CD1' HD11 ' A' ' 34' ' ' LEU . 4.2 tp -46.7 -71.88 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 109.28 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 2.2 m80 -50.92 -60.46 3.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.565 1.165 . . . . 0.0 109.625 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.99 75.36 0.92 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.346 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.543 ' HG2' ' CE1' ' A' ' 70' ' ' PHE . 26.2 mtpt -44.7 -41.25 6.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 109.288 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -88.37 54.05 2.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 109.324 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 8.4 p -100.68 -81.46 0.47 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 110.046 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.486 ' HG2' ' N ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER 174.68 -30.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 110.272 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.486 ' N ' ' HG2' ' A' ' 68' ' ' ARG . 0.4 OUTLIER -88.96 -32.54 17.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.3 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.543 ' CE1' ' HG2' ' A' ' 65' ' ' LYS . 58.4 t80 -63.08 -29.93 71.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 110.945 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.651 ' N ' HD22 ' A' ' 71' ' ' LEU . 1.3 mm? -72.88 -51.62 17.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.612 ' CA ' HG21 ' A' ' 19' ' ' VAL . 91.7 t80 -57.81 -35.4 70.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.097 . . . . 0.0 111.026 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.554 ' OH ' HG11 ' A' ' 38' ' ' VAL . 2.3 t80 -61.08 -45.45 94.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 111.036 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.33 -29.91 70.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.1 . . . . 0.0 110.255 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 44.3 mmt-85 -67.49 -46.48 72.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 110.301 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.465 ' O ' HG22 ' A' ' 80' ' ' ILE . 0.0 OUTLIER -73.27 -37.75 66.19 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.56 1.163 . . . . 0.0 109.285 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.512 HG23 ' HB2' ' A' ' 35' ' ' ALA . 2.0 t -49.38 -40.56 14.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.133 . . . . 0.0 109.285 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -68.97 -28.36 66.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.652 ' CD ' HD22 ' A' ' 15' ' ' LEU . 18.5 tp10 -75.97 -54.37 6.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.34 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.896 HD12 ' HB3' ' A' ' 39' ' ' ALA . 0.0 OUTLIER -65.95 -40.03 86.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.323 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.494 ' CG ' ' O ' ' A' ' 77' ' ' VAL . 2.7 mmm180 -44.67 -68.51 0.19 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 110.315 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.571 ' HG3' ' CD2' ' A' ' 11' ' ' TYR . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.5 ' O ' ' CG ' ' A' ' 12' ' ' GLU . 13.8 mt-10 . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.491 ' O ' ' N ' ' A' ' 13' ' ' GLN . 36.7 m-20 -40.99 -55.35 2.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.319 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.577 ' CE1' ' HB3' ' A' ' 12' ' ' GLU . 0.2 OUTLIER -38.08 -29.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 111.029 179.948 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.577 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 2.9 pt-20 -109.28 -23.66 11.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 110.3 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.491 ' N ' ' O ' ' A' ' 10' ' ' ASP . 0.0 OUTLIER -74.26 -15.07 60.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 110.271 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.618 ' O ' HD12 ' A' ' 17' ' ' ILE . 24.5 m95 -85.01 -24.34 28.26 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.452 HD12 ' HA ' ' A' ' 15' ' ' LEU . 1.3 tp -66.33 -29.08 69.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -55.49 -33.08 63.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 110.286 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.618 HD12 ' O ' ' A' ' 14' ' ' TRP . 0.1 OUTLIER -104.72 94.81 3.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.99 170.55 9.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.461 HG11 ' HB2' ' A' ' 71' ' ' LEU . 25.5 t -102.16 119.0 49.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.563 1.165 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.506 ' HA ' ' C ' ' A' ' 21' ' ' PRO . 3.6 p -71.5 150.54 93.8 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 110.01 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.506 ' C ' ' HA ' ' A' ' 20' ' ' SER . 18.3 Cg_endo -75.03 174.41 52.83 Favored 'Cis proline' 0 C--N 1.36 1.15 0 C-N-CA 121.015 -2.494 . . . . 0.0 110.989 0.024 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 4.32 4.85 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.513 1.796 . . . . 0.0 110.977 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -74.11 -19.14 60.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.342 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -57.48 -17.84 27.61 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.466 1.104 . . . . 0.0 111.021 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -47.21 -30.15 2.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 0.749 . . . . 0.0 109.338 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -85.71 -63.09 1.38 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.295 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.814 ' O ' HG12 ' A' ' 30' ' ' VAL . 17.8 m -49.34 -23.35 1.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.395 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.3 tmm_? -47.13 -26.41 1.11 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 0.0 110.317 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 93.7 mtt180 -71.67 -37.16 70.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.448 1.092 . . . . 0.0 110.298 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.814 HG12 ' O ' ' A' ' 27' ' ' THR . 11.9 p -82.76 -13.96 12.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.451 ' CG2' ' HA ' ' A' ' 73' ' ' TYR . 19.7 mt -93.53 -52.74 9.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.127 . . . . 0.0 109.234 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -48.81 -35.35 14.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 110.322 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.0 mmtp -65.22 -45.51 84.43 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.488 1.117 . . . . 0.0 109.298 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.966 HD11 HD21 ' A' ' 62' ' ' LEU . 0.2 OUTLIER -64.27 -47.18 80.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.416 ' HB1' HG22 ' A' ' 77' ' ' VAL . . . -65.41 -47.61 75.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.434 ' O ' ' CB ' ' A' ' 40' ' ' GLU . 0.8 OUTLIER -55.29 -42.69 73.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.282 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.418 ' CZ ' ' CD1' ' A' ' 45' ' ' LEU . 34.9 t80 -73.26 -33.01 65.03 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.536 1.147 . . . . 0.0 110.994 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.6 HG12 ' N ' ' A' ' 39' ' ' ALA . 2.5 t -73.25 -76.02 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.276 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.774 ' HB3' HD12 ' A' ' 80' ' ' ILE . . . -42.03 -28.53 0.18 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.44 ' N ' ' C ' ' A' ' 38' ' ' VAL . 2.9 tp10 -59.89 -57.86 11.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.11 . . . . 0.0 110.267 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.403 ' N ' ' HG3' ' A' ' 40' ' ' GLU . . . -91.24 -50.08 2.89 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.542 1.151 . . . . 0.0 111.01 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 38' ' ' VAL . . . 140.85 -148.05 19.69 Favored Glycine 0 CA--C 1.531 1.058 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -25.75 11.51 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.544 1.813 . . . . 0.0 110.952 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.797 ' O ' HG23 ' A' ' 48' ' ' VAL . 1.5 tm-20 -56.31 -32.68 64.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.297 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.564 ' N ' ' CD2' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -74.82 -48.66 24.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.092 . . . . 0.0 109.302 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.495 ' O ' ' HB3' ' A' ' 49' ' ' ALA . 54.7 tt0 -49.66 -52.9 27.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.28 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.7 mtmt -59.8 -56.21 24.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 109.327 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.797 HG23 ' O ' ' A' ' 44' ' ' GLU . 76.3 t -50.73 -44.7 26.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.112 . . . . 0.0 109.32 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.495 ' HB3' ' O ' ' A' ' 46' ' ' GLU . . . -44.54 -57.91 3.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.328 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 5.0 mtt -46.26 -23.85 0.4 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 111.033 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -97.82 -54.49 3.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.093 . . . . 0.0 110.346 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.532 ' HB3' ' CD1' ' A' ' 53' ' ' TYR . 1.1 m-20 -48.88 -40.06 28.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.113 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.565 ' N ' ' CD1' ' A' ' 53' ' ' TYR . 1.3 m-30 -103.21 28.17 6.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 111.038 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.457 ' C ' ' O ' ' A' ' 53' ' ' TYR . 0.5 OUTLIER -36.33 -40.4 0.23 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.262 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -106.47 77.12 1.18 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 109.314 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.62 ' O ' HG22 ' A' ' 60' ' ' THR . 0.2 OUTLIER -104.09 119.65 53.55 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.098 . . . . 0.0 109.284 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.469 ' O ' HG23 ' A' ' 60' ' ' THR . 18.3 Cg_endo -75.04 -58.74 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.486 1.782 . . . . 0.0 111.015 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -99.54 -14.77 18.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 0.0 109.26 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.57 ' CD1' ' CE1' ' A' ' 61' ' ' PHE . 0.2 OUTLIER -87.91 29.72 0.9 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 111.004 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.62 HG22 ' O ' ' A' ' 56' ' ' ASN . 74.4 p -77.48 -16.92 58.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.575 1.172 . . . . 0.0 110.406 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.604 ' CZ ' HD12 ' A' ' 34' ' ' LEU . 46.7 p90 -57.34 -22.66 43.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.145 . . . . 0.0 110.965 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.966 HD21 HD11 ' A' ' 34' ' ' LEU . 8.0 mt -55.24 -65.35 0.6 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 10.3 m-70 -53.03 -70.62 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.565 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.403 ' O ' ' O ' ' A' ' 61' ' ' PHE . 1.0 OUTLIER -59.28 110.45 1.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.285 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.568 ' HG3' ' CZ ' ' A' ' 70' ' ' PHE . 0.0 OUTLIER -67.8 -66.76 0.52 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 109.295 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -70.15 67.37 0.3 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.12 . . . . 0.0 109.335 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.408 ' N ' ' O ' ' A' ' 65' ' ' LYS . 30.4 t -110.11 -86.01 0.54 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.989 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.478 ' HG2' ' N ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER 174.21 -30.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.332 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.523 ' HB3' ' CG ' ' A' ' 61' ' ' PHE . 0.5 OUTLIER -91.79 -12.26 34.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 110.285 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.568 ' CZ ' ' HG3' ' A' ' 65' ' ' LYS . 47.9 t80 -91.57 -22.2 20.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 111.013 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.634 ' N ' HD12 ' A' ' 71' ' ' LEU . 2.9 mp -74.16 -53.38 9.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 109.258 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.445 ' N ' HG21 ' A' ' 19' ' ' VAL . 64.2 t80 -63.72 -36.53 84.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 111.012 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.543 ' OH ' HG11 ' A' ' 38' ' ' VAL . 7.8 t80 -50.92 -62.35 1.67 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 110.942 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.56 -40.59 62.74 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.119 . . . . 0.0 110.265 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 48.6 mmt-85 -58.34 -61.91 2.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.305 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.445 ' O ' ' N ' ' A' ' 79' ' ' GLU . 3.1 mmtt -59.44 -37.33 77.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.528 HG23 ' O ' ' A' ' 73' ' ' TYR . 2.7 t -48.7 -38.99 10.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.277 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.466 ' HB1' ' HA ' ' A' ' 11' ' ' TYR . . . -68.13 -31.95 71.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 76' ' ' LYS . 14.2 tp10 -70.8 -58.51 3.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.345 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.774 HD12 ' HB3' ' A' ' 39' ' ' ALA . 0.0 OUTLIER -59.72 -40.18 81.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 109.328 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 7.1 mmm-85 -43.0 -61.46 1.29 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.288 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.441 ' HA ' ' CD2' ' A' ' 11' ' ' TYR . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.463 ' O ' ' N ' ' A' ' 13' ' ' GLN . 5.2 m-20 -40.58 -34.05 0.33 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 109.317 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.575 ' HA ' ' HB1' ' A' ' 78' ' ' ALA . 1.9 p90 -42.67 -24.31 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.972 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.57 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 2.6 pt-20 -106.08 -27.13 11.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.1 . . . . 0.0 110.312 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.463 ' N ' ' O ' ' A' ' 10' ' ' ASP . 3.7 pt20 -64.58 -16.91 63.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 110.314 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.486 ' O ' HD12 ' A' ' 17' ' ' ILE . 26.1 m95 -85.52 -32.7 22.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 108.023 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.45 HD12 ' HA ' ' A' ' 15' ' ' LEU . 0.8 OUTLIER -55.44 -19.31 8.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.153 . . . . 0.0 109.307 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -68.32 -36.94 80.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.115 . . . . 0.0 110.307 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.637 ' H ' HD12 ' A' ' 17' ' ' ILE . 0.1 OUTLIER -109.65 95.05 3.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.28 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.0 mmtm -68.15 -179.68 1.32 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.546 HG11 ' HB2' ' A' ' 71' ' ' LEU . 56.0 t -109.0 140.32 28.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.332 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.498 ' CB ' ' HA ' ' A' ' 21' ' ' PRO . 0.6 OUTLIER -97.49 160.36 28.95 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.426 1.079 . . . . 0.0 109.991 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.498 ' HA ' ' CB ' ' A' ' 20' ' ' SER . 18.2 Cg_endo -75.04 174.49 52.42 Favored 'Cis proline' 0 C--N 1.36 1.163 0 C-N-CA 121.0 -2.5 . . . . 0.0 111.006 0.022 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 4.18 4.95 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.514 1.797 . . . . 0.0 110.972 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -73.53 -37.85 65.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.277 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.418 ' O ' ' N ' ' A' ' 27' ' ' THR . . . -55.98 -16.8 14.08 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.485 1.116 . . . . 0.0 110.991 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -44.22 -51.4 8.26 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 0.757 . . . . 0.0 109.33 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -69.25 -28.6 66.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 110.309 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.418 ' N ' ' O ' ' A' ' 24' ' ' GLY . 88.3 m -75.39 -14.91 60.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.389 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.44 ' O ' ' N ' ' A' ' 32' ' ' GLU . 0.0 OUTLIER -48.02 -33.73 8.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 110.304 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.45 -28.91 69.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.556 1.16 . . . . 0.0 110.318 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 95.9 t -94.46 -28.17 4.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.44 1.087 . . . . 0.0 109.285 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.679 HG23 ' HB2' ' A' ' 73' ' ' TYR . 30.6 mt -79.02 -65.74 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -40.79 -37.59 0.79 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.323 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.8 mmmt -56.38 -49.66 73.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 109.273 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.465 HD21 HD11 ' A' ' 62' ' ' LEU . 33.4 tp -60.03 -19.79 54.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' A' ' 32' ' ' GLU . . . -89.34 -57.02 3.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.273 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.471 ' O ' ' CG ' ' A' ' 40' ' ' GLU . 18.9 ttt-85 -56.92 -18.88 15.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 110.267 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 53.0 t80 -92.96 -42.64 9.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 111.011 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.435 HG12 ' N ' ' A' ' 39' ' ' ALA . 6.8 t -73.84 -73.61 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.285 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.848 ' HB3' HD12 ' A' ' 80' ' ' ILE . . . -39.2 -32.74 0.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.471 ' CG ' ' O ' ' A' ' 36' ' ' ARG . 3.8 mm-40 -57.52 -66.33 0.48 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.44 1.087 . . . . 0.0 110.269 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -75.91 -61.11 2.96 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.452 1.095 . . . . 0.0 111.03 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 152.56 -145.05 12.24 Favored Glycine 0 CA--C 1.53 0.986 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.476 ' O ' ' N ' ' A' ' 46' ' ' GLU . 18.1 Cg_endo -75.04 -36.09 2.73 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.505 1.792 . . . . 0.0 110.972 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -50.2 -31.55 14.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 110.303 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.571 ' N ' ' CD2' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -72.57 -27.03 61.94 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 0.0 109.293 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.476 ' N ' ' O ' ' A' ' 43' ' ' PRO . 61.7 tt0 -80.01 -25.52 40.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 0.0 110.272 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.534 ' N ' ' CD ' ' A' ' 47' ' ' LYS . 0.1 OUTLIER -82.71 -29.65 29.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 109.277 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 41.0 t -83.01 -36.28 12.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.095 . . . . 0.0 109.335 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.82 -43.01 90.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.434 1.084 . . . . 0.0 109.275 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.33 -20.53 55.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 110.961 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -97.78 -50.37 4.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.275 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -48.5 -46.32 38.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.497 ' CD2' ' CD2' ' A' ' 59' ' ' PHE . 2.5 m-85 -104.17 28.64 6.62 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.143 . . . . 0.0 111.051 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -46.43 -44.99 17.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -120.62 82.01 1.85 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.318 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -135.07 119.59 13.57 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.523 1.14 . . . . 0.0 109.268 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.552 ' C ' HG23 ' A' ' 60' ' ' THR . 18.4 Cg_endo -74.98 -4.06 14.85 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.503 1.791 . . . . 0.0 111.033 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -100.04 -49.44 4.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 0.0 109.283 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.561 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 2.1 m-85 -86.88 32.29 0.67 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.101 . . . . 0.0 111.006 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.552 HG23 ' C ' ' A' ' 57' ' ' PRO . 59.6 p -64.14 -11.93 35.06 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.129 . . . . 0.0 110.369 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.561 ' CE1' ' HA ' ' A' ' 59' ' ' PHE . 45.2 p90 -73.3 -27.8 61.74 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 110.97 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.465 HD11 HD21 ' A' ' 34' ' ' LEU . 0.6 OUTLIER -39.65 -70.6 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -74.49 58.6 0.77 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.133 . . . . 0.0 109.58 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -165.13 107.22 0.81 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.344 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.581 ' HA ' ' CD2' ' A' ' 70' ' ' PHE . 3.7 mtpt -101.01 36.99 1.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 109.26 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 28.2 m-80 -173.15 47.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 13.5 t -111.49 -83.85 0.57 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.987 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.463 ' HG2' ' N ' ' A' ' 69' ' ' GLU . 0.1 OUTLIER 174.46 -30.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 110.356 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.526 ' HB3' ' CG ' ' A' ' 61' ' ' PHE . 1.0 OUTLIER -87.61 -15.55 37.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 110.323 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.581 ' CD2' ' HA ' ' A' ' 65' ' ' LYS . 78.1 t80 -93.17 -31.6 14.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 110.98 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.614 ' N ' HD12 ' A' ' 71' ' ' LEU . 2.8 mp -71.82 -51.82 20.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.413 ' N ' HG21 ' A' ' 19' ' ' VAL . 53.1 t80 -60.18 -33.78 72.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 111.01 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.679 ' HB2' HG23 ' A' ' 31' ' ' ILE . 0.4 OUTLIER -64.24 -55.3 22.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 111.002 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -59.39 -25.41 64.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 110.354 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -66.48 -78.87 0.05 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.559 1.162 . . . . 0.0 110.317 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.48 ' O ' HG22 ' A' ' 80' ' ' ILE . 0.0 OUTLIER -44.32 -34.09 1.83 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.091 . . . . 0.0 109.305 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.587 HG23 ' O ' ' A' ' 73' ' ' TYR . 2.2 t -46.39 -42.87 5.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.575 ' HB1' ' HA ' ' A' ' 11' ' ' TYR . . . -62.58 -35.85 80.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.46 1.1 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 76' ' ' LYS . 5.8 tp10 -68.84 -58.79 3.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 110.314 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.848 HD12 ' HB3' ' A' ' 39' ' ' ALA . 0.0 OUTLIER -60.61 -39.87 82.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.27 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.405 ' HG2' ' CB ' ' A' ' 39' ' ' ALA . 4.4 mmm180 -46.08 -60.76 2.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 110.269 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.552 ' CD ' ' CD2' ' A' ' 11' ' ' TYR . 1.0 OUTLIER . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.474 ' CA ' ' HG2' ' A' ' 13' ' ' GLN . 15.7 m-20 -50.98 -30.67 15.66 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.532 1.145 . . . . 0.0 109.284 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.516 ' CE1' ' HB2' ' A' ' 12' ' ' GLU . 2.6 p90 -40.76 -25.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.57 1.169 . . . . 0.0 110.999 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.516 ' HB2' ' CE1' ' A' ' 11' ' ' TYR . 19.5 tt0 -106.94 -27.22 10.82 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.116 . . . . 0.0 110.32 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.474 ' HG2' ' CA ' ' A' ' 10' ' ' ASP . 4.2 pt20 -63.5 -11.81 26.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 110.284 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 21.7 m95 -88.63 -18.51 27.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 107.985 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.584 HD11 ' CD ' ' A' ' 76' ' ' LYS . 1.1 tp -72.98 -30.29 63.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -53.6 -37.06 62.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.269 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.568 ' H ' HD12 ' A' ' 17' ' ' ILE . 0.1 OUTLIER -100.34 94.8 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.281 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.6 157.44 32.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.436 ' CG2' ' HG3' ' A' ' 75' ' ' ARG . 54.4 t -87.17 116.36 29.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.329 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.516 ' HA ' ' C ' ' A' ' 21' ' ' PRO . 5.1 p -72.51 150.73 91.5 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.101 . . . . 0.0 109.992 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.516 ' C ' ' HA ' ' A' ' 20' ' ' SER . 18.3 Cg_endo -75.0 174.37 53.04 Favored 'Cis proline' 0 C--N 1.36 1.135 0 C-N-CA 121.01 -2.496 . . . . 0.0 110.983 0.028 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 4.39 4.79 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.526 1.803 . . . . 0.0 110.962 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -69.21 -31.57 70.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 110.291 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -58.12 -15.4 21.83 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.493 1.121 . . . . 0.0 111.017 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -41.96 -35.87 0.97 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 0.756 . . . . 0.0 109.307 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.401 ' C ' ' N ' ' A' ' 28' ' ' ARG . 1.2 tp10 -78.96 -62.39 1.71 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 110.295 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.658 ' O ' HG12 ' A' ' 30' ' ' VAL . 7.0 m -44.75 -25.62 0.31 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 110.429 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.444 ' C ' ' CD ' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -47.23 -26.44 1.19 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 110.291 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.4 mtt180 -75.12 -35.19 61.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.437 1.086 . . . . 0.0 110.299 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.706 HG22 ' HE1' ' A' ' 59' ' ' PHE . 5.3 p -86.85 -21.53 7.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.437 HD12 ' HD2' ' A' ' 72' ' ' TYR . 25.7 mt -77.77 -55.68 9.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.486 ' O ' ' CB ' ' A' ' 36' ' ' ARG . 72.2 mt-10 -43.77 -26.1 0.23 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 110.288 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.7 mmtp -66.77 -48.67 68.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.739 HD11 HD11 ' A' ' 62' ' ' LEU . 1.5 tt -55.29 -51.63 66.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 38' ' ' VAL . . . -67.51 -58.85 3.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 109.299 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.486 ' CB ' ' O ' ' A' ' 32' ' ' GLU . 33.6 ttm180 -46.74 -26.29 0.91 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.335 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.556 ' O ' HD12 ' A' ' 45' ' ' LEU . 38.1 t80 -93.82 -26.31 16.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.978 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.515 HG12 ' N ' ' A' ' 39' ' ' ALA . 3.4 t -87.86 -74.9 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.107 . . . . 0.0 109.267 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.81 ' HB3' HD12 ' A' ' 80' ' ' ILE . . . -41.21 -28.49 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.439 ' N ' ' C ' ' A' ' 38' ' ' VAL . 1.1 tt0 -66.94 -57.01 7.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 110.281 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -84.97 -59.18 2.0 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.477 1.111 . . . . 0.0 110.994 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 38' ' ' VAL . . . 147.76 -146.95 17.21 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 111.049 -0.821 . . . . 0.0 111.049 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -33.77 4.31 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.487 1.783 . . . . 0.0 110.961 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.411 ' O ' HG23 ' A' ' 48' ' ' VAL . 0.3 OUTLIER -50.15 -32.14 15.34 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.473 1.108 . . . . 0.0 110.34 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.556 HD12 ' O ' ' A' ' 37' ' ' PHE . 0.1 OUTLIER -73.17 -58.89 2.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.298 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -44.21 -26.35 0.31 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 110.353 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.13 -45.14 15.56 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.427 ' N ' ' O ' ' A' ' 45' ' ' LEU . 52.2 t -67.87 -38.34 79.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.06 -49.57 75.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.09 . . . . 0.0 109.301 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.49 ' HA ' HD23 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -51.23 -23.58 3.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 111.028 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -99.15 -51.73 3.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.318 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.551 ' HB3' ' CD1' ' A' ' 53' ' ' TYR . 4.2 t0 -43.54 -47.73 7.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.296 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.551 ' CD1' ' HB3' ' A' ' 52' ' ' ASP . 0.9 OUTLIER -100.4 27.78 5.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.972 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -49.08 -37.01 19.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.321 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -116.34 81.19 1.57 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.265 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.643 ' O ' HG22 ' A' ' 60' ' ' THR . 0.8 OUTLIER -135.05 119.36 13.48 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.118 . . . . 0.0 109.351 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.544 ' C ' HG23 ' A' ' 60' ' ' THR . 18.2 Cg_endo -75.01 -17.67 19.34 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.505 1.792 . . . . 0.0 110.968 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -96.95 -45.79 6.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.307 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.706 ' HE1' HG22 ' A' ' 30' ' ' VAL . 0.7 OUTLIER -85.54 36.63 0.66 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.992 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.643 HG22 ' O ' ' A' ' 56' ' ' ASN . 67.4 p -71.55 -11.86 61.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 110.38 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.527 ' CG ' ' HB3' ' A' ' 69' ' ' GLU . 45.5 p90 -71.43 -23.12 61.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 110.979 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.739 HD11 HD11 ' A' ' 34' ' ' LEU . 0.7 OUTLIER -43.93 -71.27 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 109.303 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 -47.1 -60.87 2.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.612 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -54.28 157.34 2.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 109.325 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.591 ' HA ' ' CD2' ' A' ' 70' ' ' PHE . 32.0 mttt -141.06 55.92 1.56 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -174.23 37.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 5.9 t -116.16 158.96 22.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 109.979 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.94 -15.66 63.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.3 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.527 ' HB3' ' CG ' ' A' ' 61' ' ' PHE . 4.4 tt0 -87.8 -45.6 10.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.286 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.591 ' CD2' ' HA ' ' A' ' 65' ' ' LYS . 73.0 t80 -71.61 -21.63 61.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 111.026 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 46.1 mt -83.12 -62.81 1.49 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.28 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.437 ' HD2' HD12 ' A' ' 31' ' ' ILE . 55.1 t80 -49.57 -28.11 5.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 110.98 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.681 ' O ' HG23 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -58.89 -54.46 46.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 111.046 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 5.0 mtm180 -68.26 -32.33 72.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.431 1.082 . . . . 0.0 110.266 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.436 ' HG3' ' CG2' ' A' ' 19' ' ' VAL . 23.7 mmt85 -61.27 -44.27 97.51 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.133 . . . . 0.0 110.296 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.584 ' CD ' HD11 ' A' ' 15' ' ' LEU . 5.2 mmmt -77.3 -32.15 55.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.681 HG23 ' O ' ' A' ' 73' ' ' TYR . 2.7 t -47.67 -39.66 7.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.409 ' HB1' ' HA ' ' A' ' 11' ' ' TYR . . . -66.12 -34.05 77.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.514 ' HB2' HD22 ' A' ' 15' ' ' LEU . 23.4 tp10 -69.41 -56.8 6.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 110.315 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.81 HD12 ' HB3' ' A' ' 39' ' ' ALA . 0.0 OUTLIER -64.56 -39.85 87.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 109.287 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.462 ' CG ' ' O ' ' A' ' 77' ' ' VAL . 2.8 mmm180 -43.55 -58.59 2.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 110.306 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.46 ' HG3' ' CE2' ' A' ' 11' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.549 ' HA ' ' CD2' ' A' ' 11' ' ' TYR . 2.8 mt-10 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.256 -0.275 . . . . 0.0 110.256 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.466 ' O ' ' N ' ' A' ' 13' ' ' GLN . 16.6 m-20 -52.98 -20.4 3.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.586 ' CE1' ' HB3' ' A' ' 12' ' ' GLU . 4.2 p90 -48.01 -27.34 2.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 111.04 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.586 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 0.1 OUTLIER -89.36 -24.37 21.99 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.443 1.089 . . . . 0.0 110.259 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.466 ' N ' ' O ' ' A' ' 10' ' ' ASP . 1.2 pp0? -58.36 -16.31 14.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.353 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.563 ' O ' HD12 ' A' ' 17' ' ' ILE . 25.0 m95 -74.79 -20.74 59.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 108.001 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.45 HD21 ' HA ' ' A' ' 76' ' ' LYS . 11.1 mt -70.15 -39.07 75.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -47.22 -36.82 9.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 110.312 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.588 ' H ' HD12 ' A' ' 17' ' ' ILE . 0.4 OUTLIER -113.47 94.9 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.277 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.03 -177.14 0.6 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.528 HG11 ' CA ' ' A' ' 72' ' ' TYR . 2.7 m -97.42 164.08 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.133 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.49 ' HA ' ' C ' ' A' ' 21' ' ' PRO . 3.6 m -123.96 156.73 65.33 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.979 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.49 ' C ' ' HA ' ' A' ' 20' ' ' SER . 18.5 Cg_endo -74.9 174.43 52.62 Favored 'Cis proline' 0 C--N 1.359 1.127 0 C-N-CA 121.013 -2.494 . . . . 0.0 111.052 -0.116 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 4.21 4.94 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.51 1.795 . . . . 0.0 110.989 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.02 -20.65 59.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 110.278 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.414 ' O ' ' N ' ' A' ' 27' ' ' THR . . . -65.38 -14.2 59.43 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.495 1.122 . . . . 0.0 111.019 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -43.4 -48.12 7.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 0.772 . . . . 0.0 109.292 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -45.98 -39.15 8.58 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.108 . . . . 0.0 110.365 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.872 HG22 HG13 ' A' ' 31' ' ' ILE . 98.3 m -93.17 -28.33 16.36 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.475 1.109 . . . . 0.0 110.446 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.551 ' HG2' ' CE2' ' A' ' 72' ' ' TYR . 1.1 tmm_? -41.48 -51.16 3.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 110.337 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.421 ' N ' ' HD2' ' A' ' 28' ' ' ARG . 6.0 mtt180 -60.02 -37.15 78.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.304 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.448 ' N ' ' O ' ' A' ' 27' ' ' THR . 53.4 t -71.61 -51.43 32.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.872 HG13 HG22 ' A' ' 27' ' ' THR . 21.2 mt -53.01 -42.98 46.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -41.56 -43.59 2.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.292 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.1 mmmm -72.17 -39.45 68.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.853 HD21 HD21 ' A' ' 62' ' ' LEU . 45.3 tp -57.07 -64.9 0.72 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.272 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.48 -46.43 76.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.341 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.3 ttp180 -56.99 -37.74 72.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.55 1.156 . . . . 0.0 110.301 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.682 ' CZ ' ' CD1' ' A' ' 45' ' ' LEU . 21.5 t80 -78.4 -39.37 39.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 110.975 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.428 ' C ' ' N ' ' A' ' 40' ' ' GLU . 23.1 t -64.29 -75.84 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 109.272 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.799 ' HB3' HD12 ' A' ' 80' ' ' ILE . . . -40.99 -29.32 0.1 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.125 . . . . 0.0 109.299 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.428 ' N ' ' C ' ' A' ' 38' ' ' VAL . 2.1 mm-40 -62.04 -65.13 0.74 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.278 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -81.48 -62.8 1.92 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.522 1.139 . . . . 0.0 110.948 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 154.19 -144.58 11.38 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -34.11 4.06 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.519 1.799 . . . . 0.0 110.955 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.464 ' O ' HG23 ' A' ' 48' ' ' VAL . 0.7 OUTLIER -51.71 -30.49 22.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 110.338 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.682 ' CD1' ' CZ ' ' A' ' 37' ' ' PHE . 0.1 OUTLIER -73.65 -55.72 5.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.317 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.08 -37.2 6.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.307 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.8 mttt -70.16 -56.29 7.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 109.342 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 44' ' ' GLU . 53.5 t -54.76 -38.85 45.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -49.42 -51.33 36.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 14.0 mtt -57.01 -18.29 13.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.122 . . . . 0.0 110.962 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -93.63 -38.27 11.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.291 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.406 ' HB3' ' CE1' ' A' ' 53' ' ' TYR . 1.1 m-20 -63.66 -31.63 72.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.302 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.758 ' CD2' ' CD2' ' A' ' 59' ' ' PHE . 2.4 m-85 -121.95 31.36 6.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.987 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.14 -37.94 56.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -121.24 69.23 0.9 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.529 1.143 . . . . 0.0 109.265 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -135.29 119.87 13.49 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 109.295 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.539 ' HA ' ' CG2' ' A' ' 60' ' ' THR . 18.4 Cg_endo -74.98 -3.3 13.72 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.482 1.78 . . . . 0.0 110.99 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -99.41 -36.73 9.48 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.451 1.094 . . . . 0.0 109.31 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.758 ' CD2' ' CD2' ' A' ' 53' ' ' TYR . 1.2 m-85 -93.53 29.35 2.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 110.985 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.539 ' CG2' ' HA ' ' A' ' 57' ' ' PRO . 66.0 p -69.33 -13.27 62.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.446 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.606 ' CE1' ' CD2' ' A' ' 59' ' ' PHE . 42.8 p90 -68.55 -41.87 79.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.99 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.853 HD21 HD21 ' A' ' 34' ' ' LEU . 11.5 mt -40.12 -71.28 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.145 . . . . 0.0 109.301 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 20.8 m-70 -41.74 -57.27 2.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.63 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.77 129.2 40.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.479 ' O ' ' CD1' ' A' ' 70' ' ' PHE . 4.3 mmtt -90.16 -66.83 0.89 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.431 1.082 . . . . 0.0 109.33 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -99.13 84.41 3.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.263 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 9.8 t -123.61 -71.44 0.72 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 110.03 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.592 ' HA ' HD12 ' A' ' 71' ' ' LEU . 0.0 OUTLIER 174.42 -30.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.323 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.553 ' HG2' HD11 ' A' ' 31' ' ' ILE . 0.1 OUTLIER -89.8 -46.97 8.21 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.456 1.098 . . . . 0.0 110.3 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.479 ' CD1' ' O ' ' A' ' 65' ' ' LYS . 29.7 t80 -55.99 -16.46 4.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 0.0 110.972 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.592 HD12 ' HA ' ' A' ' 68' ' ' ARG . 15.9 mt -79.1 -55.85 4.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.153 . . . . 0.0 109.286 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.551 ' CE2' ' HG2' ' A' ' 28' ' ' ARG . 15.0 t80 -56.35 -43.19 78.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.995 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.944 ' O ' HG23 ' A' ' 77' ' ' VAL . 1.7 t80 -44.11 -30.84 0.81 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 111.014 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.408 ' CD ' ' O ' ' A' ' 70' ' ' PHE . 0.0 OUTLIER -93.69 -31.27 14.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.328 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.403 ' N ' ' O ' ' A' ' 72' ' ' TYR . 24.2 mmt180 -58.14 -36.22 72.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 110.264 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.474 ' O ' ' N ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -86.33 -35.75 19.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.944 HG23 ' O ' ' A' ' 73' ' ' TYR . 2.6 t -41.29 -40.47 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.6 -46.75 81.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.091 . . . . 0.0 109.286 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.474 ' N ' ' O ' ' A' ' 76' ' ' LYS . 22.1 tp10 -56.63 -60.75 3.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 110.312 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.799 HD12 ' HB3' ' A' ' 39' ' ' ALA . 0.0 OUTLIER -61.27 -41.55 90.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.501 ' CG ' ' O ' ' A' ' 77' ' ' VAL . 3.1 mmm180 -40.82 -61.69 0.92 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.304 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.57 ' HD3' ' CD2' ' A' ' 11' ' ' TYR . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.276 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 110.27 -0.271 . . . . 0.0 110.27 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.5 ' O ' ' N ' ' A' ' 13' ' ' GLN . 7.6 p-10 -41.94 -53.51 3.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.633 ' HA ' ' HB1' ' A' ' 78' ' ' ALA . 0.2 OUTLIER -37.77 -30.45 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.482 1.114 . . . . 0.0 111.0 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.569 ' HB2' ' CE1' ' A' ' 11' ' ' TYR . 15.9 tt0 -103.93 -29.05 11.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.22 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.5 ' N ' ' O ' ' A' ' 10' ' ' ASP . 1.5 pt20 -66.22 -17.6 64.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 110.294 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.563 ' O ' HD12 ' A' ' 17' ' ' ILE . 28.4 m95 -85.48 -31.7 22.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 108.028 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.465 HD12 ' HA ' ' A' ' 15' ' ' LEU . 0.7 OUTLIER -56.38 -30.9 63.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -57.36 -32.74 67.07 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 110.296 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.563 HD12 ' O ' ' A' ' 14' ' ' TRP . 0.1 OUTLIER -109.01 102.55 14.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 27.4 mmtm -84.12 166.27 17.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.499 HG21 ' N ' ' A' ' 72' ' ' TYR . 65.1 t -89.33 137.91 20.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 109.28 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.496 ' HA ' ' C ' ' A' ' 21' ' ' PRO . 0.1 OUTLIER -92.58 155.72 41.83 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.48 1.113 . . . . 0.0 109.966 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.496 ' C ' ' HA ' ' A' ' 20' ' ' SER . 18.3 Cg_endo -74.97 174.46 52.56 Favored 'Cis proline' 0 C--N 1.361 1.197 0 C-N-CA 121.014 -2.494 . . . . 0.0 111.002 -0.023 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 4.05 5.06 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.517 1.798 . . . . 0.0 111.026 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.92 -25.28 63.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 110.318 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.01 -12.76 38.02 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.48 1.112 . . . . 0.0 111.003 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -40.79 -42.94 1.9 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 0.747 . . . . 0.0 109.287 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -76.16 -57.0 4.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 110.303 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.686 ' O ' HG12 ' A' ' 30' ' ' VAL . 17.5 m -46.84 -25.46 0.76 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.388 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.17 -23.01 1.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.095 . . . . 0.0 110.263 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 86.2 mtt-85 -74.42 -31.36 62.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 110.296 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.686 HG12 ' O ' ' A' ' 27' ' ' THR . 6.1 p -92.86 -14.49 8.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.449 1.093 . . . . 0.0 109.326 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.785 HG23 ' HB2' ' A' ' 73' ' ' TYR . 65.0 mt -87.24 -53.22 10.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.153 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -51.46 -32.34 26.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.287 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 36.6 tptt -60.06 -49.02 79.3 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.499 1.125 . . . . 0.0 109.29 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.943 ' CD1' HD21 ' A' ' 62' ' ' LEU . 0.6 OUTLIER -56.49 -54.24 48.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.452 ' CB ' HG22 ' A' ' 77' ' ' VAL . . . -59.56 -58.56 8.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.402 ' O ' ' HB3' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -49.84 -22.15 1.37 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 110.28 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.545 ' O ' HD12 ' A' ' 45' ' ' LEU . 23.3 t80 -94.47 -29.65 14.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 111.037 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.487 HG12 ' N ' ' A' ' 39' ' ' ALA . 5.5 t -85.73 -75.77 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.27 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.797 ' HB3' HD12 ' A' ' 80' ' ' ILE . . . -39.67 -29.91 0.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.536 1.147 . . . . 0.0 109.263 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.442 ' N ' ' C ' ' A' ' 38' ' ' VAL . 2.1 tt0 -65.07 -67.02 0.47 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 110.251 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -76.7 -69.48 1.39 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.489 1.118 . . . . 0.0 110.989 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 164.28 -147.27 12.5 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.459 ' O ' ' N ' ' A' ' 46' ' ' GLU . 18.3 Cg_endo -74.95 -40.44 0.92 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.478 1.778 . . . . 0.0 111.029 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -47.13 -30.66 2.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 110.294 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.55 ' N ' ' CD2' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -70.47 -36.68 74.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.268 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 43' ' ' PRO . 2.1 tm-20 -70.75 -26.84 63.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.328 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.562 ' N ' ' CD ' ' A' ' 47' ' ' LYS . 0.1 OUTLIER -81.16 -45.52 16.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.332 179.944 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 25.3 t -65.36 -48.57 82.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -48.61 -53.15 19.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.27 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 3.1 mtt -55.68 -18.09 7.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 110.972 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -96.41 -38.0 10.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 110.313 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -70.58 -38.29 74.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.333 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.473 ' CD2' ' CD1' ' A' ' 59' ' ' PHE . 8.7 m-30 -96.18 16.04 19.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.989 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.3 tttm -68.37 -10.29 54.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 109.318 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -108.22 -27.8 9.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 45.7 m-80 -82.88 120.44 76.25 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.461 1.101 . . . . 0.0 109.266 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.687 ' O ' HG22 ' A' ' 60' ' ' THR . 18.3 Cg_endo -75.07 -36.86 2.26 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.447 1.762 . . . . 0.0 110.988 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -50.38 -29.79 10.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.438 1.086 . . . . 0.0 109.316 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.618 ' CD1' ' CE2' ' A' ' 61' ' ' PHE . 0.8 OUTLIER -105.43 23.58 13.54 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.439 1.087 . . . . 0.0 110.996 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.687 HG22 ' O ' ' A' ' 57' ' ' PRO . 10.2 t -71.17 -12.82 61.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 110.423 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.733 ' HZ ' HD12 ' A' ' 34' ' ' LEU . 48.2 p90 -60.65 -34.69 74.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.98 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.943 HD21 ' CD1' ' A' ' 34' ' ' LEU . 32.3 mt -40.2 -55.2 2.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 109.256 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -80.85 58.63 3.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 109.582 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 178.14 116.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.474 ' HG3' ' CE1' ' A' ' 70' ' ' PHE . 0.0 OUTLIER -98.9 48.05 0.97 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 20.1 m-80 -174.09 36.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.556 ' O ' ' CB ' ' A' ' 68' ' ' ARG . 14.7 t -101.07 -5.43 25.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.021 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.556 ' CB ' ' O ' ' A' ' 67' ' ' SER . 1.1 ptt180 88.8 -22.09 0.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.309 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.433 ' N ' ' HG2' ' A' ' 68' ' ' ARG . 1.9 tt0 -89.52 -61.46 1.69 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 110.273 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.474 ' CE1' ' HG3' ' A' ' 65' ' ' LYS . 48.8 t80 -45.09 -34.02 2.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 111.021 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.624 ' N ' HD22 ' A' ' 71' ' ' LEU . 1.6 mm? -69.41 -50.35 46.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.442 1.089 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.646 ' HD2' HG21 ' A' ' 31' ' ' ILE . 77.3 t80 -60.51 -32.14 71.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 111.027 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.785 ' HB2' HG23 ' A' ' 31' ' ' ILE . 1.1 t80 -71.64 -46.15 59.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 110.991 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.79 -32.27 65.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 110.338 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.446 ' NH1' ' O ' ' A' ' 17' ' ' ILE . 67.8 mtt180 -71.97 -70.21 0.35 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 110.271 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.454 ' HD3' HD11 ' A' ' 15' ' ' LEU . 19.4 mmtt -44.64 -34.12 2.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.681 HG23 ' O ' ' A' ' 73' ' ' TYR . 2.4 t -49.68 -36.87 11.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.633 ' HB1' ' HA ' ' A' ' 11' ' ' TYR . . . -68.26 -31.88 71.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.572 1.17 . . . . 0.0 109.291 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.459 ' HB2' ' CD2' ' A' ' 15' ' ' LEU . 32.4 tp10 -71.56 -55.58 7.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 110.251 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.797 HD12 ' HB3' ' A' ' 39' ' ' ALA . 0.0 OUTLIER -64.2 -39.96 87.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.545 1.153 . . . . 0.0 109.268 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.452 ' HG2' ' CB ' ' A' ' 39' ' ' ALA . 4.4 mmm180 -43.55 -62.86 0.96 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 110.245 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.565 ' HG3' ' CE2' ' A' ' 11' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.43 ' HA ' ' CD2' ' A' ' 11' ' ' TYR . 8.3 tt0 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.267 -0.271 . . . . 0.0 110.267 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.457 ' O ' ' N ' ' A' ' 13' ' ' GLN . 2.1 m-20 -47.19 -25.83 1.01 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.525 ' C ' ' CD1' ' A' ' 11' ' ' TYR . 2.3 p90 -48.47 -25.31 1.6 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 111.022 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.403 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 6.5 pt-20 -94.82 -22.6 17.94 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.117 . . . . 0.0 110.298 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.457 ' N ' ' O ' ' A' ' 10' ' ' ASP . 0.1 OUTLIER -61.9 -13.06 21.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 110.321 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.861 ' O ' HD12 ' A' ' 17' ' ' ILE . 31.8 m95 -84.29 -49.12 9.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 107.997 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.515 HD22 ' HB2' ' A' ' 79' ' ' GLU . 0.4 OUTLIER -44.84 -26.79 0.44 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.095 . . . . 0.0 109.315 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.423 ' N ' ' C ' ' A' ' 14' ' ' TRP . 17.7 mt-10 -59.2 -37.66 77.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.29 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.861 HD12 ' O ' ' A' ' 14' ' ' TRP . 0.1 OUTLIER -112.99 96.18 4.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.406 ' HA ' ' NH2' ' A' ' 75' ' ' ARG . 6.4 mmtp -64.64 173.15 2.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.836 HG11 ' O ' ' A' ' 68' ' ' ARG . 60.7 t -87.39 139.97 16.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.14 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.495 ' HA ' ' C ' ' A' ' 21' ' ' PRO . 0.0 OUTLIER -109.0 157.64 36.42 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.987 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.495 ' C ' ' HA ' ' A' ' 20' ' ' SER . 18.1 Cg_endo -75.04 174.44 52.72 Favored 'Cis proline' 0 C--N 1.361 1.205 0 C-N-CA 121.002 -2.499 . . . . 0.0 110.961 0.069 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 4.25 4.9 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.497 1.788 . . . . 0.0 111.015 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -72.19 -22.23 61.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 110.339 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 25' ' ' ALA . . . -69.95 -12.97 68.95 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.45 1.094 . . . . 0.0 110.968 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 24' ' ' GLY . . . -40.21 -36.22 0.49 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 0.757 . . . . 0.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -55.57 -58.81 6.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.3 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.707 ' O ' HG12 ' A' ' 30' ' ' VAL . 31.5 m -73.46 -29.0 62.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 110.373 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.565 ' HG2' ' CE2' ' A' ' 72' ' ' TYR . 3.0 tmm_? -41.45 -27.93 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 110.304 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.42 ' N ' ' C ' ' A' ' 27' ' ' THR . 72.0 mtt180 -74.02 -52.78 11.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 110.267 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.707 HG12 ' O ' ' A' ' 27' ' ' THR . 9.5 p -60.71 -29.01 44.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.686 HG21 ' HD2' ' A' ' 72' ' ' TYR . 66.8 mt -70.91 -44.26 76.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.567 1.167 . . . . 0.0 109.268 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -45.47 -29.72 1.2 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 110.335 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -90.64 -33.39 15.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.762 HD22 ' HZ ' ' A' ' 61' ' ' PHE . 19.2 tp -66.36 -49.77 65.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.147 . . . . 0.0 109.278 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.62 -30.56 71.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 16.4 ttm180 -78.14 -68.24 0.65 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 110.267 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.495 ' CG ' HD12 ' A' ' 45' ' ' LEU . 4.4 t80 -45.72 -24.52 0.37 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 110.929 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.787 HG21 ' OH ' ' A' ' 73' ' ' TYR . 18.1 t -83.02 -75.68 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.261 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.91 ' HB3' HD12 ' A' ' 80' ' ' ILE . . . -45.86 -25.72 0.57 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.348 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.407 ' N ' ' C ' ' A' ' 38' ' ' VAL . 4.9 tp10 -67.97 -55.19 13.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.552 1.157 . . . . 0.0 110.288 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -92.1 -61.7 1.19 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.444 1.09 . . . . 0.0 110.986 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 38' ' ' VAL . . . 152.59 -145.92 13.98 Favored Glycine 0 CA--C 1.531 1.04 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -32.29 5.49 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.47 1.774 . . . . 0.0 111.016 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.594 ' O ' HG23 ' A' ' 48' ' ' VAL . 2.8 mt-10 -50.64 -33.25 21.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 110.29 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.574 ' N ' ' CD2' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -75.58 -44.0 45.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 51.1 tt0 -56.21 -38.7 71.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 0.0 110.3 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.3 mtmt -70.54 -58.89 3.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.594 HG23 ' O ' ' A' ' 44' ' ' GLU . 75.7 t -49.85 -42.66 18.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -47.7 -59.92 2.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.57 1.168 . . . . 0.0 109.333 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 9.5 mtt -47.59 -25.54 1.18 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 111.003 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -88.61 -36.96 16.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.307 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -64.37 -39.68 94.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 109.314 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.78 ' CD2' ' CE1' ' A' ' 59' ' ' PHE . 2.0 m-85 -109.89 26.09 11.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 111.006 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.12 -40.13 45.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.327 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 39.7 t0 -118.04 64.74 0.75 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -134.15 119.81 14.7 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 109.267 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.567 ' C ' HG23 ' A' ' 60' ' ' THR . 18.4 Cg_endo -75.0 -7.28 19.02 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.501 1.79 . . . . 0.0 111.033 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -95.63 -20.85 18.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 0.0 109.312 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.78 ' CE1' ' CD2' ' A' ' 53' ' ' TYR . 1.2 m-85 -106.07 26.67 9.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.424 1.078 . . . . 0.0 111.014 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.567 HG23 ' C ' ' A' ' 57' ' ' PRO . 66.8 p -69.25 -12.4 61.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 110.386 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.762 ' HZ ' HD22 ' A' ' 34' ' ' LEU . 43.4 p90 -70.04 -39.21 75.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 111.013 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.679 HD21 HD21 ' A' ' 34' ' ' LEU . 10.4 mt -39.61 -67.5 0.22 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.332 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 13.1 m-70 -47.07 -50.99 18.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 109.615 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -62.21 110.39 1.61 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.16 . . . . 0.0 109.338 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.586 ' HA ' ' CD2' ' A' ' 70' ' ' PHE . 4.5 mtmp? -107.26 33.08 4.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.326 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -175.51 52.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 83.5 p -118.23 -70.87 0.77 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.578 1.174 . . . . 0.0 110.035 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.836 ' O ' HG11 ' A' ' 19' ' ' VAL . 0.0 OUTLIER 174.94 -31.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 110.279 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.487 ' N ' ' HG2' ' A' ' 68' ' ' ARG . 0.6 OUTLIER -78.41 -52.45 8.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 110.342 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.586 ' CD2' ' HA ' ' A' ' 65' ' ' LYS . 82.8 t80 -59.46 -21.21 59.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 111.017 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.709 HD12 ' HA ' ' A' ' 68' ' ' ARG . 19.0 mt -75.2 -46.85 31.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.297 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.811 ' CA ' HG21 ' A' ' 19' ' ' VAL . 52.4 t80 -64.44 -46.56 82.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 111.027 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.787 ' OH ' HG21 ' A' ' 38' ' ' VAL . 5.3 t80 -47.56 -36.79 11.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 111.002 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 13.5 mmt180 -74.32 -31.4 62.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 110.295 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.459 ' NH2' ' O ' ' A' ' 17' ' ' ILE . 0.0 OUTLIER -68.27 -73.78 0.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.138 . . . . 0.0 110.298 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 79' ' ' GLU . 0.1 OUTLIER -37.17 -44.92 0.59 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.786 HG23 ' O ' ' A' ' 73' ' ' TYR . 2.9 t -40.28 -46.28 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . -55.65 -48.51 74.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.281 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.515 ' HB2' HD22 ' A' ' 15' ' ' LEU . 24.3 tp10 -55.98 -67.69 0.27 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.123 . . . . 0.0 110.304 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.91 HD12 ' HB3' ' A' ' 39' ' ' ALA . 0.0 OUTLIER -52.82 -39.82 32.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 109.31 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.46 ' HG2' ' HB1' ' A' ' 39' ' ' ALA . 9.7 mmm180 -50.06 -53.4 27.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.25 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.52 ' HG3' ' CZ ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.474 ' HA ' ' CD2' ' A' ' 11' ' ' TYR . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.324 -0.25 . . . . 0.0 110.324 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.481 ' CA ' ' HG2' ' A' ' 13' ' ' GLN . 61.5 m-20 -45.18 -26.75 0.52 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.566 ' CD2' ' HG3' ' A' ' 82' ' ' LYS . 4.6 p90 -50.43 -19.5 0.87 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 111.007 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -104.77 -21.64 13.32 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.488 1.117 . . . . 0.0 110.261 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.481 ' HG2' ' CA ' ' A' ' 10' ' ' ASP . 0.6 OUTLIER -65.48 -11.59 44.64 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.546 1.153 . . . . 0.0 110.301 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.668 ' O ' HD12 ' A' ' 17' ' ' ILE . 30.6 m95 -91.07 -26.9 18.93 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.964 -1.124 . . . . 0.0 107.964 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.515 HD13 ' HB2' ' A' ' 79' ' ' GLU . 1.4 tp -66.05 -42.63 89.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -44.66 -37.09 3.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 110.297 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.668 HD12 ' O ' ' A' ' 14' ' ' TRP . 0.4 OUTLIER -113.83 94.82 3.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.514 1.133 . . . . 0.0 109.3 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.514 ' HD2' ' CE1' ' A' ' 72' ' ' TYR . 23.5 mmtp -79.52 -172.03 3.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.498 HG11 ' N ' ' A' ' 72' ' ' TYR . 2.4 m -89.8 166.98 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.125 . . . . 0.0 109.305 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.522 ' HA ' ' C ' ' A' ' 21' ' ' PRO . 81.1 p -116.54 144.7 33.71 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.936 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.522 ' C ' ' HA ' ' A' ' 20' ' ' SER . 18.3 Cg_endo -75.0 174.44 52.7 Favored 'Cis proline' 0 C--N 1.36 1.161 0 C-N-CA 121.018 -2.493 . . . . 0.0 110.998 -0.023 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 3.83 5.28 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.484 1.781 . . . . 0.0 111.017 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -68.62 -25.9 65.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 110.299 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -52.82 -19.11 6.39 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.486 1.116 . . . . 0.0 111.039 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -50.4 -22.88 2.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 0.766 . . . . 0.0 109.309 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -78.37 -55.64 5.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.263 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.448 ' O ' ' N ' ' A' ' 30' ' ' VAL . 5.4 m -64.52 -14.53 57.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.403 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.1 tmm_? -45.91 -49.6 15.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.152 . . . . 0.0 110.346 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.1 mtm180 -56.46 -25.08 49.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 110.321 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.448 ' N ' ' O ' ' A' ' 27' ' ' THR . 72.2 t -95.41 -24.67 4.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 0.0 109.257 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.459 HD11 ' CG ' ' A' ' 69' ' ' GLU . 85.2 mt -80.08 -64.9 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.163 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 31' ' ' ILE . 3.7 mt-10 -37.17 -39.69 0.27 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.555 1.16 . . . . 0.0 110.304 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -46.58 -54.92 8.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 1.002 HD11 HD21 ' A' ' 62' ' ' LEU . 1.2 tt -53.75 -48.14 69.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.26 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.423 ' HB1' HG21 ' A' ' 80' ' ' ILE . . . -60.1 -60.02 4.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.48 ' O ' ' CG ' ' A' ' 40' ' ' GLU . 4.4 tpt180 -45.22 -33.6 2.4 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.451 1.094 . . . . 0.0 110.261 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 32.9 t80 -78.46 -49.32 13.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 0.0 110.982 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.427 HG22 ' N ' ' A' ' 46' ' ' GLU . 2.9 t -66.33 -69.12 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.917 ' HB3' HD12 ' A' ' 80' ' ' ILE . . . -40.39 -33.93 0.29 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.48 ' CG ' ' O ' ' A' ' 36' ' ' ARG . 1.7 mm-40 -57.88 -67.77 0.31 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.261 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -76.94 -67.25 1.69 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.482 1.114 . . . . 0.0 110.993 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 157.6 -143.61 9.69 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -33.75 4.36 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.48 1.779 . . . . 0.0 110.995 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.511 ' O ' HG23 ' A' ' 48' ' ' VAL . 4.7 tt0 -52.67 -29.53 26.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 110.279 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.519 ' N ' ' CD2' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -73.34 -59.49 2.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.369 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.427 ' N ' HG22 ' A' ' 38' ' ' VAL . 11.0 tm-20 -42.4 -38.09 1.77 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.132 . . . . 0.0 110.306 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -71.92 -63.19 1.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 44' ' ' GLU . 61.2 t -48.4 -48.55 13.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 0.0 109.274 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.629 ' HB1' ' CE2' ' A' ' 53' ' ' TYR . . . -44.31 -59.85 2.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.278 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 1.8 mtt -46.46 -23.97 0.45 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.979 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 48' ' ' VAL . 19.2 tp10 -94.82 -52.92 4.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.444 1.09 . . . . 0.0 110.268 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -55.67 -20.91 15.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.433 1.083 . . . . 0.0 109.315 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.629 ' CE2' ' HB1' ' A' ' 49' ' ' ALA . 5.1 m-30 -114.53 21.01 14.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 111.013 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 53' ' ' TYR . 3.5 tttt -38.6 -32.8 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 109.258 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.427 ' N ' ' C ' ' A' ' 53' ' ' TYR . 15.9 m-20 -115.31 80.94 1.5 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.264 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.653 ' O ' HG22 ' A' ' 60' ' ' THR . 1.1 p30 -106.63 121.3 45.58 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 109.263 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.61 ' O ' HG23 ' A' ' 60' ' ' THR . 18.3 Cg_endo -75.02 -61.86 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.49 1.784 . . . . 0.0 110.997 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -95.8 -16.98 21.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.511 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 0.2 OUTLIER -88.25 31.55 0.8 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 110.981 -179.958 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.653 HG22 ' O ' ' A' ' 56' ' ' ASN . 77.8 p -76.08 -12.39 60.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 110.458 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.511 ' CE1' ' HA ' ' A' ' 59' ' ' PHE . 49.6 p90 -63.79 -13.42 43.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 111.035 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 1.002 HD21 HD11 ' A' ' 34' ' ' LEU . 13.8 mt -64.93 -44.58 89.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.249 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.556 ' CE1' ' HB ' ' A' ' 60' ' ' THR . 12.7 p80 -91.07 35.72 0.91 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.147 . . . . 0.0 109.609 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -146.67 93.28 2.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.274 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.581 ' CD ' ' CZ ' ' A' ' 70' ' ' PHE . 14.1 mmtt -60.48 -85.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.35 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 25.3 p30 -70.82 70.83 0.5 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.406 ' O ' ' HB3' ' A' ' 68' ' ' ARG . 2.0 t -115.03 -83.5 0.62 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 109.991 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.444 ' O ' HG21 ' A' ' 19' ' ' VAL . 0.0 OUTLIER 173.51 -30.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 110.279 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.476 ' HB3' ' CG ' ' A' ' 61' ' ' PHE . 1.0 OUTLIER -92.73 -32.83 14.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 110.288 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.581 ' CZ ' ' CD ' ' A' ' 65' ' ' LYS . 58.1 t80 -68.07 -33.16 74.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.989 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.591 ' N ' HD22 ' A' ' 71' ' ' LEU . 2.0 mm? -69.59 -51.91 30.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.249 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.514 ' CE1' ' HD2' ' A' ' 18' ' ' LYS . 34.5 t80 -56.47 -38.92 72.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 110.986 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.944 ' O ' HG23 ' A' ' 77' ' ' VAL . 2.3 t80 -56.98 -26.85 60.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.142 . . . . 0.0 111.004 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 6.1 mtm180 -89.62 -34.42 16.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 110.263 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.499 ' O ' ' CD1' ' A' ' 15' ' ' LEU . 23.3 mmt180 -61.58 -32.66 72.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.291 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.516 ' O ' HG22 ' A' ' 80' ' ' ILE . 8.7 mmtt -86.88 -35.22 19.11 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.944 HG23 ' O ' ' A' ' 73' ' ' TYR . 2.6 t -47.06 -45.31 8.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -66.27 -30.84 71.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.542 1.151 . . . . 0.0 109.281 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.515 ' HB2' HD13 ' A' ' 15' ' ' LEU . 23.4 tp10 -73.01 -56.68 4.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 110.292 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.917 HD12 ' HB3' ' A' ' 39' ' ' ALA . 0.0 OUTLIER -63.81 -40.17 88.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.261 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.49 ' CG ' ' O ' ' A' ' 77' ' ' VAL . 1.8 mmm180 -47.16 -63.8 0.95 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.333 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.566 ' HG3' ' CD2' ' A' ' 11' ' ' TYR . 7.4 mmtt . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.33 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.414 ' HA ' ' CD2' ' A' ' 11' ' ' TYR . 5.8 mt-10 . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.261 -0.274 . . . . 0.0 110.261 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.453 ' O ' ' N ' ' A' ' 13' ' ' GLN . 0.7 OUTLIER -60.02 -15.66 24.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.574 ' CE1' ' HB2' ' A' ' 12' ' ' GLU . 4.2 p90 -47.98 -29.76 3.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 111.006 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.574 ' HB2' ' CE1' ' A' ' 11' ' ' TYR . 26.2 tt0 -91.08 -21.64 21.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 110.282 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.453 ' N ' ' O ' ' A' ' 10' ' ' ASP . 0.2 OUTLIER -60.01 -16.7 32.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 110.282 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 27.6 m95 -77.55 -27.69 51.61 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.645 HD11 ' HG3' ' A' ' 79' ' ' GLU . 12.8 mt -62.73 -28.16 69.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -58.96 -33.48 70.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 110.313 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.425 ' H ' HD12 ' A' ' 17' ' ' ILE . 0.2 OUTLIER -108.83 94.57 3.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.584 1.178 . . . . 0.0 109.283 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.3 mmtp -71.32 163.52 27.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.465 HG11 ' N ' ' A' ' 72' ' ' TYR . 1.2 m -89.61 165.67 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.322 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.524 ' HA ' ' C ' ' A' ' 21' ' ' PRO . 73.2 p -116.59 150.08 44.96 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.127 . . . . 0.0 109.993 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.524 ' C ' ' HA ' ' A' ' 20' ' ' SER . 18.2 Cg_endo -75.06 174.21 53.91 Favored 'Cis proline' 0 C--N 1.359 1.122 0 C-N-CA 120.971 -2.512 . . . . 0.0 110.978 0.039 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 4.46 4.73 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.538 1.809 . . . . 0.0 111.014 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -68.32 -38.68 81.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.28 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -47.09 -26.03 2.87 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.493 1.121 . . . . 0.0 111.011 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -41.5 -36.55 0.91 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 0.772 . . . . 0.0 109.293 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -71.6 -53.33 14.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.303 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.475 ' O ' ' N ' ' A' ' 30' ' ' VAL . 1.8 m -60.54 -14.3 19.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.422 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.429 ' HD2' ' N ' ' A' ' 29' ' ' ARG . 2.7 tmm_? -38.86 -57.61 1.21 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.163 . . . . 0.0 110.294 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.429 ' N ' ' HD2' ' A' ' 28' ' ' ARG . 12.7 mtp180 -48.59 -38.76 21.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.294 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.475 ' N ' ' O ' ' A' ' 27' ' ' THR . 89.2 t -78.48 -55.12 10.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.653 HG23 ' HB2' ' A' ' 73' ' ' TYR . 35.7 mt -48.64 -63.08 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.465 ' OE2' ' CB ' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -45.6 -31.17 1.74 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.097 . . . . 0.0 110.303 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.423 ' CB ' ' O ' ' A' ' 30' ' ' VAL . 14.6 tptt -59.11 -50.42 74.12 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.131 . . . . 0.0 109.272 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.637 HD13 ' HE2' ' A' ' 59' ' ' PHE . 38.2 tp -63.29 -47.68 81.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.38 -49.8 75.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.279 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.9 ttt-85 -63.09 -23.39 67.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.274 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.461 ' CZ ' ' CD1' ' A' ' 45' ' ' LEU . 20.4 t80 -87.03 -36.96 17.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.159 . . . . 0.0 110.982 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.551 HG21 ' OH ' ' A' ' 73' ' ' TYR . 9.4 t -73.45 -73.27 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.915 ' HB3' HD12 ' A' ' 80' ' ' ILE . . . -39.94 -31.05 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.433 ' N ' ' C ' ' A' ' 38' ' ' VAL . 0.6 OUTLIER -58.99 -67.74 0.34 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.163 . . . . 0.0 110.28 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.0 -50.09 5.69 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.505 1.128 . . . . 0.0 110.993 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 38' ' ' VAL . . . 136.2 -142.75 14.03 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -28.19 9.38 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.486 1.782 . . . . 0.0 111.01 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.593 ' O ' HG23 ' A' ' 48' ' ' VAL . 2.1 mt-10 -54.31 -32.8 57.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.282 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.555 ' N ' ' CD2' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -75.55 -42.69 51.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -59.25 -38.94 81.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 0.0 110.337 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 8.5 mtmm -69.85 -49.72 49.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.291 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.593 HG23 ' O ' ' A' ' 44' ' ' GLU . 72.9 t -61.81 -46.81 95.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.335 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -44.75 -56.34 4.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 109.268 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.428 ' HA ' HD23 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -45.14 -24.49 0.25 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 111.028 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' A' ' 48' ' ' VAL . 6.1 mt-10 -95.81 -50.82 4.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 110.277 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -47.1 -47.2 23.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.543 ' CD2' ' CD2' ' A' ' 59' ' ' PHE . 8.0 m-85 -104.96 29.81 6.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 110.987 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -46.78 -43.5 18.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.281 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -119.96 77.94 1.29 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.271 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.403 ' O ' HG22 ' A' ' 60' ' ' THR . 1.1 m120 -134.74 118.64 13.48 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.555 ' C ' HG23 ' A' ' 60' ' ' THR . 18.4 Cg_endo -75.03 -2.53 12.67 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.521 1.801 . . . . 0.0 110.994 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -99.34 -54.54 2.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 0.0 109.319 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.637 ' HE2' HD13 ' A' ' 34' ' ' LEU . 2.8 m-85 -84.68 34.54 0.54 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 111.017 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.555 HG23 ' C ' ' A' ' 57' ' ' PRO . 68.7 p -65.09 -11.33 38.57 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.507 1.13 . . . . 0.0 110.359 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.552 ' CE1' ' HA ' ' A' ' 59' ' ' PHE . 43.3 p90 -75.51 -20.54 58.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 111.011 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.48 HD11 HD21 ' A' ' 34' ' ' LEU . 0.4 OUTLIER -44.04 -71.2 0.08 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.42 ' O ' ' N ' ' A' ' 65' ' ' LYS . 4.4 m-70 -59.25 -74.95 0.06 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.497 1.123 . . . . 0.0 109.551 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 63' ' ' HIS . 0.5 OUTLIER -40.22 99.14 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 63' ' ' HIS . 0.3 OUTLIER -62.37 -48.07 81.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 109.346 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 32.9 m120 -75.87 59.32 1.23 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.097 . . . . 0.0 109.29 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 9.4 t -120.59 130.28 54.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 110.034 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.518 ' HA ' HD12 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -55.83 -24.11 34.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 110.291 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.511 ' HB3' ' CG ' ' A' ' 61' ' ' PHE . 0.7 OUTLIER -85.1 -28.92 25.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 110.315 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -83.07 -16.55 46.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 111.026 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.518 HD12 ' HA ' ' A' ' 68' ' ' ARG . 8.7 mt -82.19 -63.91 1.29 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.117 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.465 ' N ' HG11 ' A' ' 19' ' ' VAL . 30.3 t80 -53.09 -34.09 55.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 111.014 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.958 ' O ' HG23 ' A' ' 77' ' ' VAL . 0.9 OUTLIER -60.48 -30.75 69.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 110.999 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -92.65 -24.87 18.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.325 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -68.17 -40.32 82.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.347 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.465 ' CB ' ' OE2' ' A' ' 32' ' ' GLU . 0.0 OUTLIER -83.51 -24.78 31.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.327 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.958 HG23 ' O ' ' A' ' 73' ' ' TYR . 1.7 t -48.15 -36.97 6.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.319 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.38 -33.3 69.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 109.323 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.645 ' HG3' HD11 ' A' ' 15' ' ' LEU . 5.2 tm-20 -66.99 -51.99 48.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 110.274 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.915 HD12 ' HB3' ' A' ' 39' ' ' ALA . 0.0 OUTLIER -69.54 -36.11 69.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.278 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 10.4 mmm-85 -49.31 -53.51 21.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.299 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 109.344 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.563 ' HA ' ' CD2' ' A' ' 11' ' ' TYR . 7.6 pt-20 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.283 -0.266 . . . . 0.0 110.283 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 13' ' ' GLN . 1.3 m-20 -46.67 -25.29 0.69 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 109.333 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.583 ' CD2' ' HG3' ' A' ' 82' ' ' LYS . 4.1 p90 -48.67 -22.63 0.81 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 111.037 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.538 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -97.36 -22.5 16.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 110.309 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.451 ' N ' ' O ' ' A' ' 10' ' ' ASP . 1.1 pp0? -60.03 -15.9 26.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 0.0 110.32 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.404 ' HA ' ' CD1' ' A' ' 17' ' ' ILE . 26.8 m95 -76.62 -19.09 58.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 107.992 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.439 HD11 ' HD3' ' A' ' 76' ' ' LYS . 9.5 mt -72.74 -23.28 60.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -62.97 -32.26 73.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 110.283 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.632 ' H ' HD12 ' A' ' 17' ' ' ILE . 0.1 OUTLIER -113.39 94.47 3.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.147 . . . . 0.0 109.279 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.0 mmtm -61.52 164.1 6.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.666 HG21 ' CA ' ' A' ' 72' ' ' TYR . 55.9 t -87.0 128.6 39.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.511 ' HA ' ' C ' ' A' ' 21' ' ' PRO . 0.4 OUTLIER -88.95 148.39 41.08 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.496 1.123 . . . . 0.0 110.013 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.511 ' C ' ' HA ' ' A' ' 20' ' ' SER . 18.3 Cg_endo -75.05 174.55 52.15 Favored 'Cis proline' 0 C--N 1.36 1.143 0 C-N-CA 120.999 -2.5 . . . . 0.0 110.976 0.033 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 4.49 4.7 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.489 1.784 . . . . 0.0 110.983 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -68.3 -36.05 78.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.262 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 25' ' ' ALA . . . -64.3 -12.53 51.13 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.45 1.094 . . . . 0.0 110.996 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.495 ' O ' ' CG ' ' A' ' 28' ' ' ARG . . . -39.03 -75.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 0.769 . . . . 0.0 109.299 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -39.78 -54.49 2.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 110.283 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.535 HG21 ' CD ' ' A' ' 69' ' ' GLU . 7.1 m -42.67 -38.33 2.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 110.373 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.495 ' CG ' ' O ' ' A' ' 25' ' ' ALA . 0.0 OUTLIER -40.2 -28.49 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 110.308 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.437 ' N ' ' C ' ' A' ' 27' ' ' THR . 5.7 mtm180 -62.07 -47.48 84.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 110.301 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.461 ' N ' ' O ' ' A' ' 27' ' ' THR . 1.1 p -77.85 -37.37 23.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.463 ' CG2' ' HA ' ' A' ' 73' ' ' TYR . 11.9 mt -60.3 -56.94 14.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.136 . . . . 0.0 109.344 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -45.3 -28.28 0.79 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 110.277 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.2 tptt -75.55 -43.05 50.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 109.314 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 1.072 HD21 HD21 ' A' ' 62' ' ' LEU . 32.4 tp -70.82 -41.3 71.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 109.279 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.95 -46.28 85.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.433 ' NH1' ' OE2' ' A' ' 40' ' ' GLU . 18.0 ttt-85 -63.24 -59.95 4.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 110.304 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.565 ' CZ ' HD13 ' A' ' 45' ' ' LEU . 10.5 t80 -46.45 -45.68 18.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.981 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.457 HG11 ' OH ' ' A' ' 73' ' ' TYR . 6.7 t -66.92 -74.37 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.45 1.094 . . . . 0.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.947 ' HB3' HD12 ' A' ' 80' ' ' ILE . . . -38.74 -31.44 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.448 ' N ' ' C ' ' A' ' 38' ' ' VAL . 0.2 OUTLIER -61.22 -63.65 1.22 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 110.286 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -86.21 -69.7 1.33 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.482 1.114 . . . . 0.0 111.016 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 159.8 -141.5 7.53 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -29.1 8.6 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.448 1.762 . . . . 0.0 111.013 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.424 ' O ' HG23 ' A' ' 48' ' ' VAL . 30.5 tt0 -54.78 -32.15 59.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 110.329 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.565 HD13 ' CZ ' ' A' ' 37' ' ' PHE . 0.1 OUTLIER -76.63 -40.91 47.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.339 179.95 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.51 -43.55 84.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.088 . . . . 0.0 110.271 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 8.7 mttt -66.05 -52.76 46.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 0.0 109.327 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 44' ' ' GLU . 55.0 t -57.48 -36.71 54.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 109.343 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.402 ' CB ' HD11 ' A' ' 34' ' ' LEU . . . -55.05 -49.23 72.12 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.134 . . . . 0.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.474 ' HG2' ' CE1' ' A' ' 63' ' ' HIS . 6.5 mtt -57.65 -23.64 52.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 110.968 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -82.76 -47.86 11.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.292 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.94 -45.18 64.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.649 ' CD2' ' CD1' ' A' ' 59' ' ' PHE . 11.7 m-85 -103.67 24.34 11.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.972 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -41.15 -37.63 0.93 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.272 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -125.91 63.68 1.22 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.348 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.4 ' CB ' ' HB3' ' A' ' 53' ' ' TYR . 0.8 OUTLIER -135.25 120.83 14.02 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 0.0 109.286 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.634 ' O ' HG22 ' A' ' 60' ' ' THR . 18.2 Cg_endo -75.05 -18.67 18.42 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.452 1.764 . . . . 0.0 111.005 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -79.25 -41.93 27.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.331 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.649 ' CD1' ' CD2' ' A' ' 53' ' ' TYR . 0.7 OUTLIER -99.11 22.92 9.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.999 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.634 HG22 ' O ' ' A' ' 57' ' ' PRO . 5.1 t -69.87 -12.82 61.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.393 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.686 ' HZ ' HD22 ' A' ' 34' ' ' LEU . 48.4 p90 -62.3 -38.72 90.47 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 110.969 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 1.072 HD21 HD21 ' A' ' 34' ' ' LEU . 17.5 mt -40.41 -68.93 0.15 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.343 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.474 ' CE1' ' HG2' ' A' ' 50' ' ' MET . 14.4 m-70 -50.88 -74.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.589 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.63 97.13 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.436 1.085 . . . . 0.0 109.28 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 67' ' ' SER . 0.1 OUTLIER -65.09 -74.68 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.402 1.064 . . . . 0.0 109.294 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 16.6 m-80 -68.65 68.02 0.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 65' ' ' LYS . 0.9 OUTLIER -108.19 -72.29 0.73 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.521 1.138 . . . . 0.0 109.97 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.524 ' O ' HG11 ' A' ' 19' ' ' VAL . 0.5 OUTLIER 167.45 -32.04 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 110.298 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.535 ' CD ' HG21 ' A' ' 27' ' ' THR . 13.8 mt-10 -92.74 -37.35 12.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.291 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -54.65 -39.7 68.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 0.0 110.989 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.78 ' N ' HD13 ' A' ' 71' ' ' LEU . 0.1 OUTLIER -60.93 -43.55 98.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 109.282 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.666 ' CA ' HG21 ' A' ' 19' ' ' VAL . 76.0 t80 -65.17 -47.62 76.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 0.0 111.021 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.622 ' O ' HG23 ' A' ' 77' ' ' VAL . 1.3 t80 -42.28 -53.17 4.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 111.007 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -62.92 -33.88 76.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.293 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.444 ' HD2' ' CG2' ' A' ' 19' ' ' VAL . 0.0 OUTLIER -57.51 -75.81 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.324 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.473 ' O ' HG22 ' A' ' 80' ' ' ILE . 0.3 OUTLIER -51.77 -34.32 39.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.329 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.622 HG23 ' O ' ' A' ' 73' ' ' TYR . 1.4 t -47.08 -24.66 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.404 ' N ' ' C ' ' A' ' 76' ' ' LYS . . . -80.78 -41.83 22.74 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.46 ' OE1' ' CB ' ' A' ' 12' ' ' GLU . 12.1 tp10 -60.65 -46.37 90.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 110.278 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.947 HD12 ' HB3' ' A' ' 39' ' ' ALA . 0.0 OUTLIER -71.79 -38.23 64.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.411 ' CG ' ' O ' ' A' ' 77' ' ' VAL . 8.5 mmm-85 -47.3 -67.76 0.25 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.277 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.583 ' HG3' ' CD2' ' A' ' 11' ' ' TYR . 3.6 tmtt? . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.556 1.16 . . . . 0.0 109.258 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.457 ' HA ' ' CD2' ' A' ' 11' ' ' TYR . 2.7 tt0 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.313 -0.255 . . . . 0.0 110.313 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.428 ' O ' ' N ' ' A' ' 13' ' ' GLN . 8.7 m-20 -64.85 -12.25 46.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.582 ' CE1' ' HB3' ' A' ' 12' ' ' GLU . 4.6 p90 -50.1 -20.91 1.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 111.021 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.582 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 3.8 pt-20 -100.72 -19.43 16.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 110.296 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.478 ' O ' HD11 ' A' ' 17' ' ' ILE . 0.7 OUTLIER -64.01 -11.68 31.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.273 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.926 ' O ' HD12 ' A' ' 17' ' ' ILE . 31.4 m95 -84.19 -38.26 20.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 108.003 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.846 HD11 ' HD3' ' A' ' 76' ' ' LYS . 1.1 tp -57.09 -39.27 74.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -45.96 -32.18 2.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.355 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.926 HD12 ' O ' ' A' ' 14' ' ' TRP . 0.1 OUTLIER -113.2 94.65 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.341 179.95 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.89 162.33 16.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.586 HG21 ' CA ' ' A' ' 72' ' ' TYR . 26.4 t -87.1 158.3 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.561 1.163 . . . . 0.0 109.343 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.51 ' HA ' ' C ' ' A' ' 21' ' ' PRO . 0.0 OUTLIER -108.09 154.55 41.14 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 109.951 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.51 ' C ' ' HA ' ' A' ' 20' ' ' SER . 18.1 Cg_endo -75.03 174.42 52.78 Favored 'Cis proline' 0 C--N 1.36 1.159 0 C-N-CA 121.008 -2.497 . . . . 0.0 110.99 0.034 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 4.05 5.1 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.505 1.792 . . . . 0.0 111.0 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -75.1 -14.48 60.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 110.325 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 25' ' ' ALA . . . -85.7 -12.63 71.67 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.454 1.096 . . . . 0.0 110.975 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.418 ' O ' ' CG ' ' A' ' 28' ' ' ARG . . . -39.93 -62.57 0.7 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 0.758 . . . . 0.0 109.323 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -59.06 -50.21 74.93 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.552 1.158 . . . . 0.0 110.293 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.509 ' O ' HG12 ' A' ' 30' ' ' VAL . 24.9 m -41.77 -31.01 0.27 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 110.433 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.418 ' CG ' ' O ' ' A' ' 25' ' ' ALA . 0.2 OUTLIER -42.6 -26.58 0.13 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.14 . . . . 0.0 110.289 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.415 ' N ' ' C ' ' A' ' 27' ' ' THR . 1.1 mtm-85 -64.05 -40.83 97.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.278 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.553 HG22 ' HE1' ' A' ' 59' ' ' PHE . 2.1 p -83.79 -32.95 9.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.449 HD12 ' CD2' ' A' ' 72' ' ' TYR . 9.6 mt -67.42 -57.76 8.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.141 . . . . 0.0 109.311 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 31' ' ' ILE . 15.5 mt-10 -36.1 -35.68 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 0.0 110.332 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.409 ' N ' ' O ' ' A' ' 31' ' ' ILE . 3.8 tptp -49.2 -54.11 18.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.287 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 1.113 ' CD1' HD11 ' A' ' 62' ' ' LEU . 0.5 OUTLIER -64.54 -43.57 93.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.284 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.998 ' HA ' HG12 ' A' ' 77' ' ' VAL . . . -52.33 -45.73 65.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 8.6 ttt180 -71.12 -60.75 2.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.15 . . . . 0.0 110.306 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.636 ' CZ ' HD13 ' A' ' 45' ' ' LEU . 22.6 t80 -44.47 -48.92 10.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 110.955 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 1.009 HG21 ' OH ' ' A' ' 73' ' ' TYR . 42.2 t -60.34 -75.88 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.622 ' HB3' HD12 ' A' ' 80' ' ' ILE . . . -40.96 -39.67 1.22 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -50.04 -67.11 0.29 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.306 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -85.64 -61.74 1.67 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.532 1.145 . . . . 0.0 111.03 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 38' ' ' VAL . . . 149.79 -139.44 7.39 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -33.47 4.55 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.51 1.795 . . . . 0.0 110.986 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.547 ' O ' HG23 ' A' ' 48' ' ' VAL . 0.2 OUTLIER -53.97 -30.54 47.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.353 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.636 HD13 ' CZ ' ' A' ' 37' ' ' PHE . 0.1 OUTLIER -72.92 -54.61 8.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.138 . . . . 0.0 109.281 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -49.09 -25.99 2.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 110.299 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.82 -50.94 7.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.547 HG23 ' O ' ' A' ' 44' ' ' GLU . 72.5 t -61.41 -33.41 56.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.341 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.448 ' O ' ' CD2' ' A' ' 53' ' ' TYR . . . -55.39 -46.18 76.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.138 . . . . 0.0 109.305 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 12.8 mtt -63.84 -15.89 59.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.547 1.154 . . . . 0.0 111.035 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -89.04 -44.67 10.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.132 . . . . 0.0 110.311 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.04 -38.67 88.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.448 ' CD2' ' O ' ' A' ' 49' ' ' ALA . 20.5 m-85 -102.99 18.03 22.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 111.039 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.81 -27.68 5.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -130.44 62.33 1.59 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -134.49 119.19 14.0 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.71 ' O ' HG22 ' A' ' 60' ' ' THR . 18.2 Cg_endo -74.97 -25.01 12.34 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.555 1.818 . . . . 0.0 110.981 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -75.14 -47.22 29.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.611 ' HA ' ' CE2' ' A' ' 61' ' ' PHE . 0.2 OUTLIER -96.54 22.31 8.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 110.992 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.71 HG22 ' O ' ' A' ' 57' ' ' PRO . 4.9 t -66.58 -11.7 54.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.1 . . . . 0.0 110.427 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.698 ' CE1' ' CD1' ' A' ' 62' ' ' LEU . 44.1 p90 -64.89 -14.49 59.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 111.027 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 1.113 HD11 ' CD1' ' A' ' 34' ' ' LEU . 0.4 OUTLIER -58.86 -60.07 4.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -73.36 65.72 0.89 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.632 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.426 ' O ' ' CG ' ' A' ' 70' ' ' PHE . 0.5 OUTLIER -174.18 112.66 0.17 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.305 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.549 ' HG3' ' CE2' ' A' ' 70' ' ' PHE . 0.0 OUTLIER -104.94 46.14 0.93 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 109.254 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 171.4 42.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.267 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.405 ' O ' ' HB3' ' A' ' 68' ' ' ARG . 30.2 t -100.39 -82.21 0.46 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.985 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.452 ' HG2' ' N ' ' A' ' 69' ' ' GLU . 0.6 OUTLIER 175.96 -30.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.157 . . . . 0.0 110.272 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.452 ' N ' ' HG2' ' A' ' 68' ' ' ARG . 0.3 OUTLIER -91.29 -36.77 13.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 110.281 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.549 ' CE2' ' HG3' ' A' ' 65' ' ' LYS . 73.8 t80 -69.42 -24.41 63.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.132 . . . . 0.0 111.007 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.405 ' O ' ' HG2' ' A' ' 75' ' ' ARG . 43.7 mt -73.05 -59.44 2.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.244 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.586 ' CA ' HG21 ' A' ' 19' ' ' VAL . 83.5 t80 -55.05 -35.68 64.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.463 1.102 . . . . 0.0 111.002 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 1.029 ' O ' HG13 ' A' ' 77' ' ' VAL . 1.9 t80 -52.26 -57.18 10.49 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.454 1.097 . . . . 0.0 110.981 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.401 ' O ' HG22 ' A' ' 77' ' ' VAL . 2.2 mmm180 -65.57 -15.37 62.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 110.332 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.493 ' O ' ' CD1' ' A' ' 15' ' ' LEU . 1.7 mmt85 -86.27 -22.25 26.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.332 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.846 ' HD3' HD11 ' A' ' 15' ' ' LEU . 0.4 OUTLIER -93.92 -39.69 10.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 1.029 HG13 ' O ' ' A' ' 73' ' ' TYR . 3.5 m -51.24 -46.57 33.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.103 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.406 ' N ' ' CG2' ' A' ' 77' ' ' VAL . . . -53.21 -45.49 68.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.34 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.469 ' HB2' HD22 ' A' ' 15' ' ' LEU . 11.9 tp10 -57.62 -65.92 0.55 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.498 1.123 . . . . 0.0 110.308 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.622 HD12 ' HB3' ' A' ' 39' ' ' ALA . 0.0 OUTLIER -56.74 -41.15 74.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 109.347 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.537 ' HG2' ' HB2' ' A' ' 39' ' ' ALA . 3.5 mmm180 -44.17 -68.59 0.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.31 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.581 ' HB3' ' CE2' ' A' ' 11' ' ' TYR . 1.3 mmtt . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.571 1.17 . . . . 0.0 109.287 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.434 ' O ' ' N ' ' A' ' 13' ' ' GLN . 47.6 m-20 -60.21 -16.45 33.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.584 ' C ' ' CD1' ' A' ' 11' ' ' TYR . 1.1 p90 -48.16 -25.51 1.51 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.1 . . . . 0.0 111.023 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.576 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 1.0 OUTLIER -96.26 -22.8 17.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.125 . . . . 0.0 110.304 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.434 ' N ' ' O ' ' A' ' 10' ' ' ASP . 0.1 OUTLIER -58.54 -19.58 38.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 110.286 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 24.7 m95 -73.95 -37.1 64.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 107.972 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.461 HD11 ' HG2' ' A' ' 79' ' ' GLU . 5.6 mt -55.12 -22.8 18.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -63.04 -42.72 99.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 0.0 110.327 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.589 ' H ' HD12 ' A' ' 17' ' ' ILE . 0.1 OUTLIER -102.29 94.56 3.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.454 1.096 . . . . 0.0 109.279 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.85 160.23 31.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 0.0 109.307 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.651 HG11 ' N ' ' A' ' 72' ' ' TYR . 0.9 OUTLIER -87.27 157.02 3.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.33 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.516 ' HA ' ' C ' ' A' ' 21' ' ' PRO . 5.3 p -111.1 153.51 43.88 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 110.015 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.516 ' C ' ' HA ' ' A' ' 20' ' ' SER . 18.4 Cg_endo -74.95 174.35 53.09 Favored 'Cis proline' 0 C--N 1.36 1.159 0 C-N-CA 120.999 -2.501 . . . . 0.0 111.021 -0.034 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 4.38 4.79 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.467 1.772 . . . . 0.0 111.065 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -68.69 -43.04 76.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.277 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -56.61 -18.39 23.52 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.496 1.123 . . . . 0.0 111.019 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.5 ' O ' ' CG ' ' A' ' 28' ' ' ARG . . . -45.9 -49.2 15.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 0.746 . . . . 0.0 109.304 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -68.05 -41.34 82.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 110.308 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 94.3 m -60.6 -14.84 22.63 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.51 1.131 . . . . 0.0 110.424 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.501 ' CZ ' ' OE2' ' A' ' 32' ' ' GLU . 0.0 OUTLIER -46.76 -36.65 7.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 110.244 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 9.0 mtm180 -55.51 -27.6 49.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.566 1.166 . . . . 0.0 110.338 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.484 ' CG1' ' CE2' ' A' ' 59' ' ' PHE . 99.6 t -95.27 -27.82 4.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.782 HG23 ' HB2' ' A' ' 73' ' ' TYR . 59.4 mt -74.79 -56.56 8.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.438 1.086 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.501 ' OE2' ' CZ ' ' A' ' 28' ' ' ARG . 82.0 mt-10 -41.07 -38.85 1.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 110.323 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.8 mmtm -60.65 -47.49 86.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 0.0 109.317 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 1.015 ' CD1' HD21 ' A' ' 62' ' ' LEU . 0.2 OUTLIER -63.32 -50.99 67.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.93 -40.21 88.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.3 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.401 ' O ' ' N ' ' A' ' 40' ' ' GLU . 33.5 ttt180 -65.05 -68.07 0.39 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 0.0 110.32 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.65 ' CE2' HD13 ' A' ' 45' ' ' LEU . 25.7 t80 -44.83 -43.73 8.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 111.003 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.522 HG21 ' OH ' ' A' ' 73' ' ' TYR . 23.8 t -61.89 -76.33 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.918 ' HB3' HD12 ' A' ' 80' ' ' ILE . . . -45.42 -26.68 0.58 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.332 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.422 ' N ' ' C ' ' A' ' 38' ' ' VAL . 0.5 OUTLIER -64.49 -62.61 1.49 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 110.32 179.954 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -83.84 -60.52 1.95 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.562 1.164 . . . . 0.0 111.028 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 153.09 -142.7 9.49 Favored Glycine 0 CA--C 1.529 0.952 0 N-CA-C 111.024 -0.831 . . . . 0.0 111.024 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.454 ' O ' ' N ' ' A' ' 46' ' ' GLU . 18.4 Cg_endo -75.01 -46.96 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.477 1.777 . . . . 0.0 110.99 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -42.62 -31.53 0.47 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.284 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.65 HD13 ' CE2' ' A' ' 37' ' ' PHE . 0.1 OUTLIER -68.05 -46.83 70.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 43' ' ' PRO . 2.6 tm-20 -60.33 -31.62 70.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 110.312 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.559 ' N ' ' CD ' ' A' ' 47' ' ' LYS . 0.1 OUTLIER -74.56 -36.58 63.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 109.349 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 23.7 t -77.43 -38.04 25.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -53.3 -43.74 67.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.11 . . . . 0.0 109.297 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 24.1 mtt -68.26 -12.46 61.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 111.002 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -98.26 -40.19 8.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 110.297 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.418 ' HB3' ' CE1' ' A' ' 53' ' ' TYR . 1.9 m-20 -62.58 -42.0 99.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.328 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.495 ' CD2' ' CD1' ' A' ' 59' ' ' PHE . 1.9 m-85 -108.95 31.13 5.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 110.976 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.91 -52.01 52.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -103.13 65.91 0.88 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.32 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.403 ' O ' ' HB ' ' A' ' 60' ' ' THR . 0.6 OUTLIER -135.11 120.07 13.78 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.297 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -11.34 21.44 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.494 1.786 . . . . 0.0 110.973 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -91.81 -42.56 10.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.283 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.635 ' CD1' ' CE2' ' A' ' 61' ' ' PHE . 1.3 m-85 -99.41 20.95 12.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.14 . . . . 0.0 111.015 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.403 ' HB ' ' O ' ' A' ' 56' ' ' ASN . 2.3 t -66.83 -12.64 59.79 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 110.404 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.763 ' HZ ' HD12 ' A' ' 34' ' ' LEU . 46.4 p90 -64.19 -34.28 77.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.427 1.079 . . . . 0.0 110.978 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 1.015 HD21 ' CD1' ' A' ' 34' ' ' LEU . 35.5 mt -44.12 -54.3 5.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.338 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -73.62 58.3 0.59 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 109.567 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.4 t0 171.88 115.13 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.127 . . . . 0.0 109.317 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.565 ' HD2' ' CZ ' ' A' ' 70' ' ' PHE . 8.3 mmtp -68.03 -71.24 0.22 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 54.3 m-80 -79.61 72.63 6.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.32 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -108.32 -74.58 0.65 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.02 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.454 ' HA ' ' CD2' ' A' ' 71' ' ' LEU . 10.7 ptm180 170.74 -35.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 110.323 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.472 ' HG2' ' CD1' ' A' ' 31' ' ' ILE . 1.5 mt-10 -94.67 -32.38 13.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 110.335 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.565 ' CZ ' ' HD2' ' A' ' 65' ' ' LYS . 66.9 t80 -61.99 -36.89 82.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 110.997 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.812 ' N ' HD13 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -63.51 -61.87 2.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 109.278 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.664 ' HD2' HG21 ' A' ' 31' ' ' ILE . 82.9 t80 -54.04 -29.27 43.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 111.0 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.782 ' HB2' HG23 ' A' ' 31' ' ' ILE . 0.8 OUTLIER -78.9 -16.2 57.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 0.0 110.968 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.6 mmm180 -93.35 -38.6 11.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.29 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.5 ' NH1' HG13 ' A' ' 19' ' ' VAL . 0.1 OUTLIER -67.75 -42.41 81.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 110.338 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.49 ' O ' HG22 ' A' ' 80' ' ' ILE . 0.0 OUTLIER -74.11 -32.51 63.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.341 179.941 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.669 HG23 ' O ' ' A' ' 73' ' ' TYR . 0.9 OUTLIER -49.38 -23.56 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.118 . . . . 0.0 109.281 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -86.49 -34.13 20.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' A' ' 76' ' ' LYS . 22.4 tp10 -67.3 -39.82 85.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 110.282 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.918 HD12 ' HB3' ' A' ' 39' ' ' ALA . 0.0 OUTLIER -78.42 -40.09 24.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.411 ' O ' ' C ' ' A' ' 82' ' ' LYS . 3.1 mmm180 -42.65 -60.27 1.61 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 110.328 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 81' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.444 ' O ' ' CG ' ' A' ' 12' ' ' GLU . 3.2 mt-10 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 13' ' ' GLN . 0.7 OUTLIER -44.18 -35.75 2.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.303 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.595 ' C ' ' CD1' ' A' ' 11' ' ' TYR . 0.7 OUTLIER -49.22 -24.69 1.86 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 111.017 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.444 ' CG ' ' O ' ' A' ' 9' ' ' GLU . 0.0 OUTLIER -95.48 -21.34 18.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.291 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.539 ' O ' ' NE2' ' A' ' 13' ' ' GLN . 0.0 OUTLIER -63.88 -11.62 29.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.132 . . . . 0.0 110.316 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 39.1 m95 -88.51 -30.29 19.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.127 . . . . 0.0 107.988 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.731 HD11 ' HD3' ' A' ' 76' ' ' LYS . 1.0 OUTLIER -56.38 -39.6 73.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.329 179.944 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -60.78 -19.35 59.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 110.278 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.426 ' HB ' ' NH1' ' A' ' 75' ' ' ARG . 0.8 OUTLIER -109.32 94.58 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.53 156.1 25.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.607 HG21 ' CA ' ' A' ' 72' ' ' TYR . 21.8 t -88.46 130.69 37.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.493 ' HA ' ' C ' ' A' ' 21' ' ' PRO . 0.0 OUTLIER -93.21 156.66 39.95 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.955 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.493 ' C ' ' HA ' ' A' ' 20' ' ' SER . 18.3 Cg_endo -74.98 174.31 53.33 Favored 'Cis proline' 0 C--N 1.361 1.193 0 C-N-CA 120.972 -2.512 . . . . 0.0 111.043 -0.043 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 4.45 4.72 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.486 1.782 . . . . 0.0 111.003 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -71.07 -24.26 62.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 110.321 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -71.07 -12.62 71.93 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.479 1.112 . . . . 0.0 111.05 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.405 ' O ' ' CG ' ' A' ' 28' ' ' ARG . . . -57.8 -19.61 29.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 0.773 . . . . 0.0 109.356 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -78.3 -40.21 37.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.327 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.564 HG22 HG13 ' A' ' 31' ' ' ILE . 63.6 m -83.08 -14.92 52.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.413 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.405 ' CG ' ' O ' ' A' ' 25' ' ' ALA . 0.4 OUTLIER -50.42 -22.88 2.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 0.0 110.29 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.6 mtp180 -76.72 -27.12 55.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.317 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.421 ' N ' ' O ' ' A' ' 27' ' ' THR . 64.8 t -95.16 -26.36 4.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 0.0 109.281 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.564 HG13 HG22 ' A' ' 27' ' ' THR . 20.8 mt -69.9 -54.67 17.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -40.3 -35.32 0.4 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 110.318 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.4 tptp -58.54 -49.82 76.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 109.326 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.568 HD11 HD11 ' A' ' 62' ' ' LEU . 0.6 OUTLIER -54.78 -50.62 68.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.97 -54.87 42.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.293 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.465 ' O ' ' CB ' ' A' ' 40' ' ' GLU . 16.4 ttt180 -59.15 -16.45 20.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 110.259 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.604 ' O ' HD12 ' A' ' 45' ' ' LEU . 11.8 t80 -95.17 -25.56 16.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 110.981 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.535 HG21 ' OH ' ' A' ' 73' ' ' TYR . 23.7 t -94.55 -76.61 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.764 ' HB3' HD12 ' A' ' 80' ' ' ILE . . . -39.83 -29.44 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.465 ' CB ' ' O ' ' A' ' 36' ' ' ARG . 4.7 tp10 -66.24 -67.84 0.42 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 110.295 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -77.4 -64.22 2.12 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.503 1.127 . . . . 0.0 111.001 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 154.07 -145.75 13.32 Favored Glycine 0 CA--C 1.53 0.986 0 N-CA-C 110.976 -0.849 . . . . 0.0 110.976 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -29.54 8.15 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.451 1.763 . . . . 0.0 110.99 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.702 ' O ' HG23 ' A' ' 48' ' ' VAL . 0.7 OUTLIER -53.64 -31.0 45.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 0.0 110.311 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.604 HD12 ' O ' ' A' ' 37' ' ' PHE . 0.1 OUTLIER -77.16 -37.39 53.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -66.48 -22.1 66.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 110.287 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.6 mttt -92.76 -40.87 10.44 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.702 HG23 ' O ' ' A' ' 44' ' ' GLU . 93.9 t -73.76 -30.44 28.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.426 ' CB ' ' O ' ' A' ' 45' ' ' LEU . . . -63.26 -46.72 85.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 109.339 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 1.8 mtt -56.36 -20.12 17.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 110.993 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -98.16 -24.99 15.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 110.309 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.419 ' HB3' ' CE1' ' A' ' 53' ' ' TYR . 2.5 t0 -75.69 -35.89 60.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.647 ' CD2' ' CD2' ' A' ' 59' ' ' PHE . 1.9 m-85 -113.3 25.58 11.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 110.972 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 16.8 tttt -46.98 -48.11 21.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.322 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -113.21 79.41 1.23 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 0.0 109.262 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.521 ' O ' HG22 ' A' ' 60' ' ' THR . 1.4 t-20 -133.21 119.77 15.71 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.29 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.543 ' C ' HG23 ' A' ' 60' ' ' THR . 18.2 Cg_endo -74.98 -14.25 21.24 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.506 1.793 . . . . 0.0 111.0 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -98.39 -42.43 7.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 109.315 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.647 ' CD2' ' CD2' ' A' ' 53' ' ' TYR . 0.2 OUTLIER -87.44 34.39 0.7 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.477 1.11 . . . . 0.0 110.992 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.543 HG23 ' C ' ' A' ' 57' ' ' PRO . 64.4 p -71.86 -16.4 62.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 110.405 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.516 ' CZ ' HD12 ' A' ' 34' ' ' LEU . 41.1 p90 -65.24 -17.94 64.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.999 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.568 HD11 HD11 ' A' ' 34' ' ' LEU . 0.9 OUTLIER -50.96 -71.21 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 4.6 m80 -43.83 -68.12 0.22 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 109.604 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -39.86 127.67 2.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.245 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.599 ' HA ' ' CD2' ' A' ' 70' ' ' PHE . 6.7 mttt -121.51 39.03 3.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.334 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.589 ' HA ' HD21 ' A' ' 71' ' ' LEU . 0.9 OUTLIER 172.46 50.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 109.282 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.431 ' O ' ' HB3' ' A' ' 68' ' ' ARG . 1.3 t -106.31 -72.28 0.72 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.981 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.498 ' HG2' ' N ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER 173.41 -30.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 110.304 -179.941 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.498 ' N ' ' HG2' ' A' ' 68' ' ' ARG . 1.2 mp0 -88.66 -38.98 14.37 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.466 1.104 . . . . 0.0 110.295 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.599 ' CD2' ' HA ' ' A' ' 65' ' ' LYS . 93.1 t80 -64.32 -41.01 97.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 111.004 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.692 HD22 ' H ' ' A' ' 71' ' ' LEU . 1.7 mm? -67.63 -40.81 84.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.607 ' CA ' HG21 ' A' ' 19' ' ' VAL . 78.3 t80 -62.89 -37.53 87.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 110.955 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.666 ' O ' HG23 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -60.71 -20.0 60.09 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.966 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 7.4 mtm180 -92.92 -12.98 29.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.309 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.426 ' NH1' ' HB ' ' A' ' 17' ' ' ILE . 25.9 mmt180 -78.19 -75.87 0.21 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.557 1.161 . . . . 0.0 110.338 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.731 ' HD3' HD11 ' A' ' 15' ' ' LEU . 0.4 OUTLIER -46.82 -32.53 3.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.283 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.666 HG23 ' O ' ' A' ' 73' ' ' TYR . 1.2 t -44.66 -53.77 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.138 . . . . 0.0 109.293 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -52.47 -34.09 47.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 76' ' ' LYS . 1.4 tm-20 -66.31 -62.74 1.31 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 110.28 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.764 HD12 ' HB3' ' A' ' 39' ' ' ALA . 0.0 OUTLIER -59.04 -34.19 52.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.309 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.421 ' HG2' ' CB ' ' A' ' 39' ' ' ALA . 9.2 mmm180 -49.27 -61.35 2.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.487 1.117 . . . . 0.0 110.276 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.504 ' C ' ' CD ' ' A' ' 82' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.453 ' HA ' ' CD2' ' A' ' 11' ' ' TYR . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 110.272 -0.27 . . . . 0.0 110.272 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.425 ' O ' ' N ' ' A' ' 13' ' ' GLN . 12.0 m-20 -48.84 -24.01 1.29 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.449 1.093 . . . . 0.0 109.289 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.573 ' CE2' ' HG3' ' A' ' 82' ' ' LYS . 2.8 p90 -50.43 -23.55 2.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 110.972 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.524 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 0.4 OUTLIER -95.54 -19.32 19.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 110.343 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.425 ' N ' ' O ' ' A' ' 10' ' ' ASP . 0.2 OUTLIER -63.8 -12.47 35.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 110.263 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.475 ' HA ' ' CD1' ' A' ' 17' ' ' ILE . 32.6 m95 -82.38 -11.38 58.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 0.0 108.035 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.538 ' CD2' ' HG2' ' A' ' 76' ' ' LYS . 40.0 mt -75.25 -32.99 61.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 109.312 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -55.68 -34.33 64.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 110.278 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.641 ' H ' HD12 ' A' ' 17' ' ' ILE . 0.2 OUTLIER -113.52 97.35 5.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 179.951 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.9 160.51 28.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.695 HG11 ' HB2' ' A' ' 71' ' ' LEU . 97.9 t -87.29 122.92 39.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.296 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.513 ' CB ' ' HA ' ' A' ' 21' ' ' PRO . 0.6 OUTLIER -77.29 161.3 73.28 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.014 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.513 ' HA ' ' CB ' ' A' ' 20' ' ' SER . 18.3 Cg_endo -74.99 174.14 54.22 Favored 'Cis proline' 0 C--N 1.359 1.128 0 C-N-CA 121.016 -2.493 . . . . 0.0 111.018 -0.019 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 4.01 5.1 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.467 1.772 . . . . 0.0 111.0 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -69.94 -23.78 63.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 110.332 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.432 ' O ' ' N ' ' A' ' 28' ' ' ARG . . . -59.38 -14.58 27.68 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.492 1.12 . . . . 0.0 110.978 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -44.04 -34.63 1.81 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 0.775 . . . . 0.0 109.301 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -85.14 -61.26 1.81 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.431 1.082 . . . . 0.0 110.295 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.751 ' O ' HG12 ' A' ' 30' ' ' VAL . 3.4 m -49.92 -21.65 1.25 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.428 1.08 . . . . 0.0 110.399 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.432 ' N ' ' O ' ' A' ' 24' ' ' GLY . 5.9 tmm_? -49.9 -24.08 2.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.103 . . . . 0.0 110.329 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 44.7 mtp180 -74.43 -28.55 61.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.296 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.751 HG12 ' O ' ' A' ' 27' ' ' THR . 8.4 p -95.33 -26.48 4.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.356 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.675 HG23 ' HB2' ' A' ' 73' ' ' TYR . 58.9 mt -74.53 -64.4 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.567 1.167 . . . . 0.0 109.306 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.432 ' O ' ' N ' ' A' ' 36' ' ' ARG . 7.7 mm-40 -38.18 -36.84 0.24 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.327 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.476 ' O ' ' N ' ' A' ' 37' ' ' PHE . 0.1 OUTLIER -50.09 -52.7 32.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.322 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.545 HD22 ' HE2' ' A' ' 59' ' ' PHE . 17.4 tp -60.38 -35.82 76.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.45 ' HA ' HG22 ' A' ' 77' ' ' VAL . . . -71.42 -27.94 63.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.499 ' O ' ' CG ' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -89.02 -26.33 21.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 0.0 110.294 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.476 ' N ' ' O ' ' A' ' 33' ' ' LYS . 44.7 t80 -83.22 -45.38 13.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.123 . . . . 0.0 111.032 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.668 HG21 ' OH ' ' A' ' 73' ' ' TYR . 11.3 t -67.91 -72.63 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.621 ' HB3' HD12 ' A' ' 80' ' ' ILE . . . -40.1 -32.36 0.17 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 109.336 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.499 ' CG ' ' O ' ' A' ' 36' ' ' ARG . 2.7 mm-40 -55.25 -64.87 0.7 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.097 . . . . 0.0 110.294 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -85.17 -58.1 2.14 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.449 1.093 . . . . 0.0 111.051 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 147.22 -142.74 10.54 Favored Glycine 0 CA--C 1.53 0.981 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -26.23 11.25 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.476 1.777 . . . . 0.0 111.055 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.871 ' O ' HG23 ' A' ' 48' ' ' VAL . 6.9 tt0 -57.9 -31.51 66.83 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.526 1.141 . . . . 0.0 110.27 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.569 ' N ' ' CD2' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -75.63 -35.85 60.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 109.287 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -67.27 -34.46 77.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.096 . . . . 0.0 110.281 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.5 mttt -77.96 -34.03 51.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.871 HG23 ' O ' ' A' ' 44' ' ' GLU . 78.5 t -80.43 -28.93 11.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.538 1.149 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.43 ' N ' ' O ' ' A' ' 45' ' ' LEU . . . -62.28 -46.08 90.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.568 1.168 . . . . 0.0 109.334 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.91 -19.44 12.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 111.013 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -97.61 -40.04 8.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 110.313 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.523 ' HB3' ' CD1' ' A' ' 53' ' ' TYR . 5.1 t70 -61.33 -43.24 99.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.267 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.561 ' N ' ' CD1' ' A' ' 53' ' ' TYR . 0.8 OUTLIER -109.53 30.02 7.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 111.02 -179.946 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 29.1 tttt -49.52 -25.34 2.61 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.472 1.108 . . . . 0.0 109.324 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -131.74 84.96 2.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.597 ' O ' HG22 ' A' ' 60' ' ' THR . 0.5 OUTLIER -135.09 119.19 13.34 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 109.306 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.508 ' C ' HG23 ' A' ' 60' ' ' THR . 18.1 Cg_endo -75.04 -16.43 20.13 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.462 1.77 . . . . 0.0 110.997 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -99.83 -43.63 6.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.567 ' HE1' HG22 ' A' ' 30' ' ' VAL . 0.2 OUTLIER -86.91 34.47 0.67 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 111.002 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.597 HG22 ' O ' ' A' ' 56' ' ' ASN . 68.3 p -69.36 -11.9 61.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.11 . . . . 0.0 110.422 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.534 ' CE1' ' HA ' ' A' ' 59' ' ' PHE . 44.5 p90 -72.82 -17.83 61.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.963 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.499 HD12 ' HA ' ' A' ' 62' ' ' LEU . 1.4 tp -51.41 -71.36 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 2.2 m80 -55.23 -66.06 0.48 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.155 . . . . 0.0 109.625 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -64.97 91.63 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.57 ' HG3' ' CZ ' ' A' ' 70' ' ' PHE . 0.1 OUTLIER -58.72 -58.59 7.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.292 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 16.5 m-80 -73.74 63.39 0.86 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.559 1.162 . . . . 0.0 109.302 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.406 ' O ' ' HB3' ' A' ' 68' ' ' ARG . 34.9 t -108.42 -79.72 0.58 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 110.043 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.475 ' HG2' ' N ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER 174.33 -30.62 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 110.245 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.475 ' N ' ' HG2' ' A' ' 68' ' ' ARG . 0.2 OUTLIER -87.94 -42.57 12.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.291 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.57 ' CZ ' ' HG3' ' A' ' 65' ' ' LYS . 79.6 t80 -52.54 -43.75 65.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 110.983 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.731 ' N ' HD13 ' A' ' 71' ' ' LEU . 0.1 OUTLIER -64.04 -60.16 3.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.429 ' HD2' HG21 ' A' ' 31' ' ' ILE . 49.6 t80 -50.56 -25.51 4.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 111.003 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.675 ' HB2' HG23 ' A' ' 31' ' ' ILE . 0.5 OUTLIER -81.74 -48.5 11.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 110.984 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.66 -18.97 65.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 110.245 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.608 ' HG3' HG23 ' A' ' 19' ' ' VAL . 69.7 mmt-85 -67.75 -76.72 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 110.27 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.538 ' HG2' ' CD2' ' A' ' 15' ' ' LEU . 0.3 OUTLIER -53.58 -25.39 17.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.501 HG23 ' O ' ' A' ' 73' ' ' TYR . 0.9 OUTLIER -48.19 -36.69 6.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 0.0 109.298 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -74.42 -31.0 62.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.466 ' N ' ' O ' ' A' ' 76' ' ' LYS . 15.8 tp10 -71.08 -51.49 24.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.246 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.621 HD12 ' HB3' ' A' ' 39' ' ' ALA . 0.0 OUTLIER -68.24 -39.31 80.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.15 . . . . 0.0 109.292 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 5.2 mmm180 -39.01 -59.1 1.02 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.312 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.573 ' HG3' ' CE2' ' A' ' 11' ' ' TYR . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.41 ' C ' ' N ' ' A' ' 11' ' ' TYR . 15.2 tt0 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.346 -0.242 . . . . 0.0 110.346 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.454 ' O ' ' N ' ' A' ' 13' ' ' GLN . 31.7 m-20 -45.2 -27.7 0.66 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.329 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.546 ' C ' ' CD1' ' A' ' 11' ' ' TYR . 2.3 p90 -47.63 -23.44 0.67 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.986 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.473 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 9.6 pt-20 -97.14 -25.16 15.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.291 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.454 ' N ' ' O ' ' A' ' 10' ' ' ASP . 0.1 OUTLIER -61.51 -13.86 24.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.103 . . . . 0.0 110.275 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 27.1 m95 -83.86 -36.77 23.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 108.009 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.624 HD11 ' HD3' ' A' ' 76' ' ' LYS . 0.5 OUTLIER -52.67 -36.94 57.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -59.2 -19.53 46.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 110.255 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -113.2 93.93 2.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 109.344 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.41 156.02 28.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.118 . . . . 0.0 109.313 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.514 HG11 ' N ' ' A' ' 72' ' ' TYR . 0.9 OUTLIER -88.54 157.14 3.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.11 . . . . 0.0 109.252 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.499 ' HA ' ' C ' ' A' ' 21' ' ' PRO . 0.0 OUTLIER -101.3 152.84 38.04 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.556 1.16 . . . . 0.0 110.029 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.499 ' C ' ' HA ' ' A' ' 20' ' ' SER . 18.3 Cg_endo -75.09 174.37 53.08 Favored 'Cis proline' 0 C--N 1.36 1.144 0 C-N-CA 120.973 -2.511 . . . . 0.0 110.998 0.076 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 4.6 4.63 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.499 1.789 . . . . 0.0 110.966 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -75.38 -25.01 57.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 110.289 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -65.35 -12.86 57.04 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.519 1.137 . . . . 0.0 110.983 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.467 ' O ' ' CG ' ' A' ' 28' ' ' ARG . . . -45.31 -74.58 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.525 0.779 . . . . 0.0 109.285 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -46.97 -43.81 19.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.34 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.639 HG21 ' CD ' ' A' ' 69' ' ' GLU . 1.6 m -51.53 -24.51 5.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.155 . . . . 0.0 110.395 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.467 ' CG ' ' O ' ' A' ' 25' ' ' ALA . 0.3 OUTLIER -44.39 -25.66 0.27 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 110.261 -179.942 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.405 ' N ' ' C ' ' A' ' 27' ' ' THR . 29.1 mtm180 -66.96 -42.3 85.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 110.348 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.565 HG12 HG22 ' A' ' 27' ' ' THR . 1.9 p -82.6 -32.12 10.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.325 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.659 HG21 ' HD2' ' A' ' 72' ' ' TYR . 65.9 mt -67.23 -58.16 7.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -43.74 -36.43 2.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 110.283 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.4 tptt -50.67 -53.19 33.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.449 1.093 . . . . 0.0 109.305 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 1.103 HD11 HD21 ' A' ' 62' ' ' LEU . 0.4 OUTLIER -61.94 -46.08 90.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.32 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.592 ' CB ' HG12 ' A' ' 77' ' ' VAL . . . -52.42 -51.2 60.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 109.322 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.415 ' O ' ' CB ' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -64.72 -15.85 62.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 110.284 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.549 ' O ' HD12 ' A' ' 45' ' ' LEU . 11.8 t80 -95.12 -24.05 17.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.987 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.951 HG21 ' OH ' ' A' ' 73' ' ' TYR . 25.6 t -91.33 -76.58 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.725 ' HB3' HD12 ' A' ' 80' ' ' ILE . . . -40.7 -28.87 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.446 ' N ' ' C ' ' A' ' 38' ' ' VAL . 2.7 tt0 -65.38 -62.11 1.72 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 110.335 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -85.85 -58.34 2.03 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.493 1.121 . . . . 0.0 110.994 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 38' ' ' VAL . . . 147.8 -144.47 12.46 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 110.984 -0.847 . . . . 0.0 110.984 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -33.65 4.37 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.508 1.793 . . . . 0.0 110.958 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.52 ' O ' HG23 ' A' ' 48' ' ' VAL . 0.2 OUTLIER -48.58 -35.95 14.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 110.313 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.549 HD12 ' O ' ' A' ' 37' ' ' PHE . 0.1 OUTLIER -71.18 -59.29 2.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.297 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -40.21 -29.79 0.08 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.098 . . . . 0.0 110.314 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.421 ' N ' ' C ' ' A' ' 45' ' ' LEU . 0.2 OUTLIER -84.04 -51.8 6.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.263 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.52 HG23 ' O ' ' A' ' 44' ' ' GLU . 47.8 t -56.78 -40.35 70.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -48.54 -49.97 34.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 109.277 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 11.8 mtt -58.44 -17.1 18.16 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.549 1.156 . . . . 0.0 111.037 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -96.93 -49.82 4.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.305 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -53.92 -32.7 54.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.338 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -121.11 30.77 6.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 0.0 111.047 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.1 tptp -46.95 -43.93 19.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -109.51 76.09 0.98 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.268 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.695 ' O ' HG22 ' A' ' 60' ' ' THR . 1.4 t-20 -133.09 119.22 15.55 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.523 ' C ' HG23 ' A' ' 60' ' ' THR . 18.3 Cg_endo -75.0 -14.33 21.15 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.499 1.789 . . . . 0.0 111.037 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -98.33 -45.03 6.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.266 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.504 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 0.5 OUTLIER -86.45 37.11 0.72 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 111.037 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.695 HG22 ' O ' ' A' ' 56' ' ' ASN . 64.0 p -76.06 -12.3 60.1 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.445 1.091 . . . . 0.0 110.349 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.504 ' CE1' ' HA ' ' A' ' 59' ' ' PHE . 48.4 p90 -67.23 -33.53 75.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 111.02 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 1.103 HD21 HD11 ' A' ' 34' ' ' LEU . 11.0 mt -45.97 -68.02 0.23 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 12.6 m-70 -51.51 -64.0 0.95 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.615 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -67.11 90.35 0.2 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 0.0 109.267 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.48 ' HG2' ' CZ ' ' A' ' 70' ' ' PHE . 31.7 mtpt -57.8 -25.15 60.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 109.284 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 38.8 p30 -110.07 60.67 0.6 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 109.306 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.425 ' O ' ' HB3' ' A' ' 68' ' ' ARG . 37.9 t -102.84 -77.56 0.56 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.502 1.126 . . . . 0.0 110.037 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.49 ' HG2' ' N ' ' A' ' 69' ' ' GLU . 0.1 OUTLIER 174.73 -29.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.297 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.639 ' CD ' HG21 ' A' ' 27' ' ' THR . 0.4 OUTLIER -92.13 -42.76 9.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.315 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.48 ' CZ ' ' HG2' ' A' ' 65' ' ' LYS . 63.7 t80 -57.26 -25.21 58.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.537 1.148 . . . . 0.0 110.955 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.424 ' C ' HG11 ' A' ' 19' ' ' VAL . 19.1 mt -73.59 -60.85 2.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 109.332 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.659 ' HD2' HG21 ' A' ' 31' ' ' ILE . 78.5 t80 -57.7 -26.23 61.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 111.012 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 1.038 ' O ' HG13 ' A' ' 77' ' ' VAL . 2.6 t80 -60.09 -60.09 4.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 110.99 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.467 ' HG2' ' CE2' ' A' ' 73' ' ' TYR . 9.6 mmm-85 -63.47 -14.26 48.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 110.301 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.494 ' O ' ' CD1' ' A' ' 15' ' ' LEU . 11.3 mmt180 -86.99 -25.59 24.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 110.342 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.624 ' HD3' HD11 ' A' ' 15' ' ' LEU . 0.5 OUTLIER -91.69 -41.44 10.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.294 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 1.038 HG13 ' O ' ' A' ' 73' ' ' TYR . 4.3 m -46.93 -50.72 5.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 109.29 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.479 ' N ' HG23 ' A' ' 77' ' ' VAL . . . -48.76 -27.86 3.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.125 . . . . 0.0 109.347 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.541 ' HG2' HD22 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -70.22 -58.06 4.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.314 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.725 HD12 ' HB3' ' A' ' 39' ' ' ALA . 0.0 OUTLIER -67.21 -34.3 68.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.453 ' HG2' ' CB ' ' A' ' 39' ' ' ALA . 6.7 mmm180 -43.32 -49.28 6.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 110.297 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.272 -0.27 . . . . 0.0 110.272 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.459 ' O ' ' N ' ' A' ' 13' ' ' GLN . 11.2 m-20 -42.6 -32.74 0.6 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.572 ' C ' ' CD1' ' A' ' 11' ' ' TYR . 1.8 p90 -47.37 -23.23 0.55 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 110.991 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.774 ' OE1' HD12 ' A' ' 15' ' ' LEU . 16.8 tp10 -96.96 -26.41 15.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.257 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.459 ' N ' ' O ' ' A' ' 10' ' ' ASP . 0.2 OUTLIER -63.24 -12.09 26.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.318 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 29.3 m95 -88.33 -20.93 24.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 108.036 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.774 HD12 ' OE1' ' A' ' 12' ' ' GLU . 24.3 mt -69.9 -26.1 64.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -64.11 -36.17 83.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.282 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -101.73 94.68 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 27.8 mmtm -83.71 158.62 21.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.317 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.501 HG11 ' N ' ' A' ' 72' ' ' TYR . 0.8 OUTLIER -88.49 156.77 3.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.263 -179.945 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.505 ' HA ' ' C ' ' A' ' 21' ' ' PRO . 6.3 m -103.04 154.98 37.18 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.431 1.082 . . . . 0.0 110.0 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.505 ' C ' ' HA ' ' A' ' 20' ' ' SER . 18.2 Cg_endo -75.0 174.57 52.04 Favored 'Cis proline' 0 C--N 1.36 1.141 0 C-N-CA 120.995 -2.502 . . . . 0.0 110.99 0.013 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 4.04 5.1 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.482 1.78 . . . . 0.0 110.981 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -69.61 -26.93 64.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 110.353 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -56.11 -16.97 15.4 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.523 1.139 . . . . 0.0 111.025 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -48.16 -38.77 18.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 0.77 . . . . 0.0 109.348 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -76.37 -54.0 7.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 110.292 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.851 HG22 HG12 ' A' ' 30' ' ' VAL . 1.4 m -56.2 -18.48 10.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 110.422 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.493 ' C ' ' CD ' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -42.69 -26.74 0.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 110.286 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.409 ' N ' ' C ' ' A' ' 27' ' ' THR . 1.5 mtp180 -69.59 -49.74 51.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 110.32 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.851 HG12 HG22 ' A' ' 27' ' ' THR . 1.4 p -76.03 -30.63 20.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.29 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.728 HG23 ' HB2' ' A' ' 73' ' ' TYR . 68.5 mt -65.04 -51.93 60.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.115 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -67.62 -24.82 65.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.249 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.0 tptp -59.05 -35.19 72.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.34 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.599 HD11 HD21 ' A' ' 62' ' ' LEU . 0.3 OUTLIER -76.68 -58.48 3.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 109.326 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.448 ' HB1' HG21 ' A' ' 80' ' ' ILE . . . -47.07 -50.08 20.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.341 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.478 ' HA ' ' CD1' ' A' ' 80' ' ' ILE . 0.0 OUTLIER -56.87 -25.29 56.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.307 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.464 ' O ' HD12 ' A' ' 45' ' ' LEU . 14.0 t80 -93.72 -30.02 15.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 110.995 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.595 HG23 HD22 ' A' ' 34' ' ' LEU . 25.4 t -81.0 -75.87 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.453 ' CB ' ' HG2' ' A' ' 81' ' ' ARG . . . -40.13 -30.2 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.44 ' N ' ' C ' ' A' ' 38' ' ' VAL . 1.7 tt0 -64.03 -64.36 0.91 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 110.312 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -78.4 -58.72 3.05 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.503 1.127 . . . . 0.0 111.055 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 145.11 -144.08 12.68 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -36.41 2.58 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.542 1.811 . . . . 0.0 111.003 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -48.59 -31.45 6.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 110.281 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.539 ' N ' ' CD2' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -72.46 -62.78 1.32 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 109.295 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.1 tm-20 -39.6 -29.94 0.06 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.112 . . . . 0.0 110.297 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.409 ' N ' ' O ' ' A' ' 45' ' ' LEU . 2.0 mttt -80.48 -57.96 3.34 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.542 1.151 . . . . 0.0 109.308 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 40.2 t -54.77 -38.37 43.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.273 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.465 ' O ' ' CD2' ' A' ' 53' ' ' TYR . . . -53.63 -54.47 37.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.441 ' HA ' HD13 ' A' ' 62' ' ' LEU . 1.8 mtt -55.28 -17.54 4.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 111.046 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -98.21 -36.83 9.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.295 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -64.8 -25.41 67.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.568 1.168 . . . . 0.0 109.255 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.585 ' CD2' ' CD2' ' A' ' 59' ' ' PHE . 5.0 m-85 -125.61 29.62 5.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 0.0 111.004 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.4 ttmt -47.92 -28.61 2.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.311 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 -130.65 76.32 1.71 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.519 1.137 . . . . 0.0 109.27 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.487 ' O ' HG22 ' A' ' 60' ' ' THR . 2.6 t-20 -135.41 120.24 13.54 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.266 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.547 ' C ' HG23 ' A' ' 60' ' ' THR . 18.1 Cg_endo -75.05 -8.45 20.03 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.512 1.796 . . . . 0.0 110.984 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -99.61 -43.72 6.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.585 ' CD2' ' CD2' ' A' ' 53' ' ' TYR . 0.2 OUTLIER -88.23 33.65 0.74 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 111.012 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.547 HG23 ' C ' ' A' ' 57' ' ' PRO . 58.2 p -72.78 -12.58 61.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 110.382 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.593 ' CZ ' HD12 ' A' ' 34' ' ' LEU . 43.3 p90 -69.67 -33.67 72.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 111.013 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.599 HD21 HD11 ' A' ' 34' ' ' LEU . 6.5 mt -43.7 -68.49 0.19 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 109.337 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -69.27 68.29 0.2 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 109.584 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.424 ' N ' ' O ' ' A' ' 62' ' ' LEU . 2.0 t0 172.39 115.82 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.571 ' HA ' ' CD1' ' A' ' 70' ' ' PHE . 0.2 OUTLIER -79.06 -74.68 0.27 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.514 1.134 . . . . 0.0 109.248 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 26.2 p30 -77.77 73.69 4.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.323 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 11.2 t -116.24 -76.46 0.57 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.991 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.426 ' O ' HG21 ' A' ' 19' ' ' VAL . 0.0 OUTLIER 170.71 -32.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.293 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -94.13 -39.27 10.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.437 1.086 . . . . 0.0 110.336 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.571 ' CD1' ' HA ' ' A' ' 65' ' ' LYS . 41.0 t80 -65.44 -16.91 64.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.467 1.104 . . . . 0.0 111.006 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 11.9 mt -85.29 -65.6 0.99 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.569 ' HD2' HG21 ' A' ' 31' ' ' ILE . 67.5 t80 -51.86 -23.06 4.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 110.968 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.967 ' O ' HG23 ' A' ' 77' ' ' VAL . 1.7 t80 -76.09 -32.33 59.17 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.482 1.114 . . . . 0.0 110.986 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.91 -20.42 27.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 110.331 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 21.6 mmt180 -74.17 -32.78 63.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 110.306 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.547 ' HG2' ' CD2' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -93.36 -22.23 19.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.098 . . . . 0.0 109.261 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.967 HG23 ' O ' ' A' ' 73' ' ' TYR . 1.9 t -48.75 -33.51 5.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -76.07 -31.26 58.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.157 . . . . 0.0 109.301 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.597 ' HG3' HD11 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -70.23 -49.07 53.85 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.504 1.128 . . . . 0.0 110.311 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.478 ' CD1' ' HA ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -72.37 -35.48 52.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.459 ' CG ' ' O ' ' A' ' 77' ' ' VAL . 7.1 mmm-85 -48.23 -55.72 9.78 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 110.276 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.449 ' HD3' ' CD2' ' A' ' 11' ' ' TYR . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.258 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.438 ' HA ' ' CD2' ' A' ' 11' ' ' TYR . 4.7 mt-10 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.44 ' O ' ' N ' ' A' ' 13' ' ' GLN . 27.3 m-20 -57.78 -17.26 14.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.563 ' CE2' ' CB ' ' A' ' 82' ' ' LYS . 3.2 p90 -49.38 -23.79 1.63 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 111.002 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.487 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 1.8 pt-20 -94.09 -22.68 18.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.356 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.44 ' N ' ' O ' ' A' ' 10' ' ' ASP . 0.2 OUTLIER -60.54 -14.11 17.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.324 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.641 ' O ' HD12 ' A' ' 17' ' ' ILE . 27.9 m95 -79.89 -27.73 39.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 108.01 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.723 HD11 ' HD3' ' A' ' 76' ' ' LYS . 5.2 mt -62.81 -16.16 57.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -68.13 -32.77 73.29 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.465 1.103 . . . . 0.0 110.265 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.645 ' H ' HD12 ' A' ' 17' ' ' ILE . 0.1 OUTLIER -110.52 92.32 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.34 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.84 168.78 0.85 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.271 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.797 HG21 ' HB2' ' A' ' 72' ' ' TYR . 14.1 m -86.62 160.52 3.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 109.314 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.514 ' HA ' ' C ' ' A' ' 21' ' ' PRO . 0.8 OUTLIER -128.19 151.45 76.22 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.549 1.156 . . . . 0.0 110.006 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.514 ' C ' ' HA ' ' A' ' 20' ' ' SER . 18.5 Cg_endo -74.94 174.51 52.25 Favored 'Cis proline' 0 C--N 1.36 1.177 0 C-N-CA 120.967 -2.514 . . . . 0.0 111.027 -0.065 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 4.21 4.95 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.489 1.784 . . . . 0.0 111.002 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -75.7 -18.33 59.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 110.276 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -82.29 -12.62 80.38 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.483 1.114 . . . . 0.0 111.017 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.426 ' O ' ' CG ' ' A' ' 28' ' ' ARG . . . -56.43 -18.53 11.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 0.782 . . . . 0.0 109.305 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -73.68 -35.15 65.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.445 1.091 . . . . 0.0 110.279 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.709 HG22 HG12 ' A' ' 30' ' ' VAL . 1.6 m -88.94 -25.93 21.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 110.351 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.575 ' HB2' ' CE2' ' A' ' 72' ' ' TYR . 0.0 OUTLIER -38.91 -29.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.296 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 27' ' ' THR . 61.7 mtp180 -68.63 -55.74 10.51 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.538 1.149 . . . . 0.0 110.301 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.709 HG12 HG22 ' A' ' 27' ' ' THR . 1.4 p -63.19 -32.35 56.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.566 1.167 . . . . 0.0 109.344 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.46 ' CG2' ' HA ' ' A' ' 73' ' ' TYR . 5.5 mt -66.28 -45.41 89.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -41.61 -42.99 2.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.142 . . . . 0.0 110.37 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.46 ' O ' ' N ' ' A' ' 37' ' ' PHE . 7.0 mmmt -64.65 -43.16 94.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.334 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.857 HD11 HD21 ' A' ' 62' ' ' LEU . 0.8 OUTLIER -56.93 -52.0 66.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.81 -50.9 72.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 109.321 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.467 ' O ' ' CG ' ' A' ' 40' ' ' GLU . 68.6 ttt180 -61.41 -32.57 72.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.297 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.46 ' N ' ' O ' ' A' ' 33' ' ' LYS . 27.2 t80 -74.98 -46.16 37.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 111.022 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.426 HG12 ' N ' ' A' ' 39' ' ' ALA . 3.8 t -67.41 -70.72 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.1 . . . . 0.0 109.292 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.904 ' HB3' HD12 ' A' ' 80' ' ' ILE . . . -39.6 -37.96 0.56 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.432 1.083 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.467 ' CG ' ' O ' ' A' ' 36' ' ' ARG . 1.4 mm-40 -50.94 -66.29 0.41 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 110.289 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -84.53 -62.94 1.66 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.523 1.139 . . . . 0.0 111.0 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 152.29 -141.61 8.64 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -30.35 7.25 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.478 1.778 . . . . 0.0 110.988 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.45 ' O ' HG23 ' A' ' 48' ' ' VAL . 3.1 tt0 -54.97 -33.1 62.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.287 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.56 ' N ' ' CD2' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -71.11 -52.59 18.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.343 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.07 -27.98 9.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.277 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.24 -49.31 12.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.324 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 44' ' ' GLU . 53.9 t -60.5 -41.66 88.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -53.66 -49.54 67.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 3.1 mtt -47.43 -23.07 0.53 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 111.043 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -96.28 -33.81 11.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.311 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 36.0 t0 -66.66 -41.95 87.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.807 ' CD2' ' CD2' ' A' ' 59' ' ' PHE . 8.6 m-85 -109.34 28.97 7.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 111.012 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.4 ttmt -50.66 -55.2 17.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -110.85 77.74 1.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.329 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -135.32 119.82 13.42 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.551 ' C ' HG23 ' A' ' 60' ' ' THR . 18.2 Cg_endo -74.96 -3.3 13.72 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.503 1.791 . . . . 0.0 110.988 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -99.77 -46.43 5.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.807 ' CD2' ' CD2' ' A' ' 53' ' ' TYR . 0.7 OUTLIER -87.96 32.27 0.75 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 110.984 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.551 HG23 ' C ' ' A' ' 57' ' ' PRO . 74.6 p -68.59 -12.19 60.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.406 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.755 ' HZ ' HD12 ' A' ' 34' ' ' LEU . 46.2 p90 -70.64 -36.14 73.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.96 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.857 HD21 HD11 ' A' ' 34' ' ' LEU . 7.2 mt -39.61 -69.3 0.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 15.3 m-70 -42.67 -55.03 3.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.572 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -52.98 140.61 24.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.591 ' HA ' ' CD1' ' A' ' 70' ' ' PHE . 11.1 mtmt -138.75 42.8 2.13 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 171.68 41.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 109.279 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.3 t -110.14 -70.45 0.81 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 110.012 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.777 ' HA ' HD12 ' A' ' 71' ' ' LEU . 0.0 OUTLIER 174.79 -32.15 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.488 1.117 . . . . 0.0 110.315 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.487 ' N ' ' HG2' ' A' ' 68' ' ' ARG . 0.5 OUTLIER -79.66 -49.75 11.66 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 0.0 110.289 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.591 ' CD1' ' HA ' ' A' ' 65' ' ' LYS . 34.8 t80 -61.43 -17.35 53.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 111.007 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.777 HD12 ' HA ' ' A' ' 68' ' ' ARG . 18.2 mt -79.8 -54.94 5.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.438 1.086 . . . . 0.0 109.237 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.797 ' HB2' HG21 ' A' ' 19' ' ' VAL . 89.5 t80 -57.76 -37.15 73.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 110.97 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.773 ' O ' HG23 ' A' ' 77' ' ' VAL . 0.8 OUTLIER -54.1 -52.7 60.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 111.012 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.71 -20.55 59.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.304 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.544 ' NH2' ' O ' ' A' ' 17' ' ' ILE . 2.3 mmm180 -68.24 -77.47 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.281 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.723 ' HD3' HD11 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -49.13 -25.26 2.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.773 HG23 ' O ' ' A' ' 73' ' ' TYR . 1.2 t -51.34 -26.19 5.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -80.45 -30.82 37.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.355 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.493 ' HA ' ' CE1' ' A' ' 11' ' ' TYR . 35.7 tp10 -73.39 -55.6 6.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.269 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.904 HD12 ' HB3' ' A' ' 39' ' ' ALA . 0.0 OUTLIER -61.1 -40.11 84.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.406 ' CG ' ' O ' ' A' ' 77' ' ' VAL . 1.7 mmm180 -47.5 -68.52 0.18 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.116 . . . . 0.0 110.311 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.563 ' CB ' ' CE2' ' A' ' 11' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.137 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.482 ' O ' ' CG ' ' A' ' 12' ' ' GLU . 34.1 mt-10 . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.484 ' O ' ' N ' ' A' ' 13' ' ' GLN . 24.2 m-20 -41.01 -52.81 3.1 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.453 1.096 . . . . 0.0 109.312 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.571 ' CE1' ' HB3' ' A' ' 12' ' ' GLU . 0.2 OUTLIER -38.46 -29.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 110.991 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.571 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 2.7 pt-20 -110.58 -23.05 11.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.329 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.484 ' N ' ' O ' ' A' ' 10' ' ' ASP . 0.3 OUTLIER -73.19 -16.52 61.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.311 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 21.5 m95 -81.03 -8.76 59.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.155 . . . . 0.0 108.003 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.723 HD11 ' HG3' ' A' ' 79' ' ' GLU . 34.4 mt -77.42 -24.06 50.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -67.8 -47.03 70.25 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 110.276 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.452 ' H ' HD12 ' A' ' 17' ' ' ILE . 0.2 OUTLIER -92.13 95.22 5.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.269 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.16 159.43 27.41 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.468 1.105 . . . . 0.0 109.328 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.582 HG11 ' C ' ' A' ' 71' ' ' LEU . 3.0 m -87.2 166.93 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.502 ' HA ' ' C ' ' A' ' 21' ' ' PRO . 59.1 m -112.37 150.8 43.12 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 0.0 110.052 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.502 ' C ' ' HA ' ' A' ' 20' ' ' SER . 18.4 Cg_endo -75.0 174.28 53.53 Favored 'Cis proline' 0 C--N 1.36 1.16 0 C-N-CA 121.0 -2.5 . . . . 0.0 111.036 0.014 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 4.41 4.78 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.506 1.793 . . . . 0.0 110.997 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 25' ' ' ALA . 3.1 tt0 -70.77 -39.79 73.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.344 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -38.43 -29.68 0.07 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.437 1.086 . . . . 0.0 111.003 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 23' ' ' GLU . . . -45.44 -39.79 7.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 0.765 . . . . 0.0 109.267 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -73.99 -48.13 32.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 110.283 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.459 ' O ' ' N ' ' A' ' 30' ' ' VAL . 92.6 m -63.67 -14.26 50.38 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.449 1.093 . . . . 0.0 110.386 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.452 ' O ' ' N ' ' A' ' 31' ' ' ILE . 0.3 OUTLIER -42.8 -56.02 3.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 110.266 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.432 ' N ' ' HD2' ' A' ' 28' ' ' ARG . 63.6 mtp180 -45.44 -26.29 0.54 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.255 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.459 ' N ' ' O ' ' A' ' 27' ' ' THR . 63.1 t -95.05 -32.89 4.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.541 HG23 ' HB2' ' A' ' 73' ' ' TYR . 45.2 mt -72.61 -67.76 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.336 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.435 ' OE2' ' NE ' ' A' ' 28' ' ' ARG . 21.4 mt-10 -41.84 -31.34 0.31 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.128 . . . . 0.0 110.28 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.5 tptt -59.94 -48.62 80.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 109.291 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.995 HD21 HD21 ' A' ' 62' ' ' LEU . 48.9 tp -68.08 -45.72 73.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.14 -41.97 69.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 13.3 ttt-85 -71.07 -17.82 62.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 110.293 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 29.0 t80 -94.07 -33.86 13.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.1 . . . . 0.0 111.006 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.939 HG11 ' OH ' ' A' ' 73' ' ' TYR . 6.1 t -81.2 -75.95 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.462 1.102 . . . . 0.0 109.274 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.874 ' HB3' HD12 ' A' ' 80' ' ' ILE . . . -39.85 -29.96 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 38' ' ' VAL . 0.5 OUTLIER -62.74 -65.43 0.69 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 110.324 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -75.8 -52.8 6.19 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.473 1.108 . . . . 0.0 110.977 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 141.66 -147.44 18.99 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -33.15 4.76 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.468 1.772 . . . . 0.0 110.971 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.614 ' O ' HG23 ' A' ' 48' ' ' VAL . 1.8 tt0 -50.24 -32.15 15.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 110.263 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.514 ' N ' ' CD2' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -72.2 -61.26 1.86 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.334 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -40.31 -32.95 0.21 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 110.318 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -78.64 -57.28 3.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.614 HG23 ' O ' ' A' ' 44' ' ' GLU . 67.9 t -52.98 -42.88 45.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.46 1.1 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -47.69 -53.0 16.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.408 ' CE ' ' O ' ' A' ' 62' ' ' LEU . 7.8 mtt -55.47 -17.54 5.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 111.0 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -99.41 -57.27 2.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 110.322 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.487 ' HB3' ' CE1' ' A' ' 53' ' ' TYR . 11.4 t0 -49.5 -38.46 30.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.246 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.546 ' N ' ' CD1' ' A' ' 53' ' ' TYR . 0.6 OUTLIER -109.16 32.95 4.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 111.018 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 53' ' ' TYR . 8.0 tttt -38.78 -30.98 0.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.437 ' N ' ' C ' ' A' ' 53' ' ' TYR . 4.5 m-20 -112.99 80.31 1.34 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.712 ' O ' HG22 ' A' ' 60' ' ' THR . 0.2 OUTLIER -107.99 120.41 47.06 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.09 . . . . 0.0 109.279 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.607 ' O ' HG23 ' A' ' 60' ' ' THR . 18.2 Cg_endo -75.02 -59.93 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.479 1.778 . . . . 0.0 110.954 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -96.81 -15.98 21.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.709 ' HE1' HD22 ' A' ' 34' ' ' LEU . 0.3 OUTLIER -88.37 28.18 1.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 111.024 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.712 HG22 ' O ' ' A' ' 56' ' ' ASN . 73.6 p -74.68 -12.43 60.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.437 1.086 . . . . 0.0 110.389 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.587 ' CE1' ' CD1' ' A' ' 59' ' ' PHE . 44.0 p90 -65.92 -13.39 59.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 111.021 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.995 HD21 HD21 ' A' ' 34' ' ' LEU . 9.3 mt -61.5 -59.54 5.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 8.8 p80 -73.89 -48.03 33.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.574 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -74.68 88.91 2.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.27 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.56 ' HD3' ' CZ ' ' A' ' 70' ' ' PHE . 1.0 OUTLIER -56.66 -54.16 49.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 27.3 m120 -83.49 65.3 8.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.133 . . . . 0.0 109.268 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.4 ' O ' ' HB3' ' A' ' 68' ' ' ARG . 8.0 t -108.47 -82.33 0.56 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 110.004 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.502 ' HG2' ' N ' ' A' ' 69' ' ' GLU . 0.1 OUTLIER 175.43 -30.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 110.315 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.502 ' N ' ' HG2' ' A' ' 68' ' ' ARG . 0.8 OUTLIER -92.46 -28.85 16.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 110.336 179.952 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.56 ' CZ ' ' HD3' ' A' ' 65' ' ' LYS . 87.6 t80 -63.8 -40.47 96.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 111.013 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.799 ' N ' HD13 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -61.67 -49.67 75.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 109.294 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.518 ' CD2' HD12 ' A' ' 31' ' ' ILE . 42.9 t80 -61.49 -37.13 82.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 110.96 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.939 ' OH ' HG11 ' A' ' 38' ' ' VAL . 1.6 t80 -62.4 -64.02 1.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 111.039 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.552 ' N ' ' CD2' ' A' ' 73' ' ' TYR . 0.0 OUTLIER -51.74 -28.56 15.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.26 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -64.61 -78.64 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 110.28 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.575 ' HG2' ' CD2' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -54.58 -23.43 16.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.517 HG21 ' CE1' ' A' ' 73' ' ' TYR . 1.0 OUTLIER -52.35 -24.03 5.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.513 ' HB1' ' HA ' ' A' ' 11' ' ' TYR . . . -80.35 -27.85 38.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.723 ' HG3' HD11 ' A' ' 15' ' ' LEU . 8.0 tm-20 -71.04 -38.64 72.55 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 110.313 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.874 HD12 ' HB3' ' A' ' 39' ' ' ALA . 0.0 OUTLIER -81.34 -34.21 13.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.314 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.514 ' HG2' ' HB1' ' A' ' 39' ' ' ALA . 16.1 mmm-85 -49.78 -53.09 27.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.318 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.148 . . . . 0.0 109.294 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.543 ' HA ' ' CE2' ' A' ' 11' ' ' TYR . 4.1 pt-20 . . . . . 0 N--CA 1.452 -0.356 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -42.85 -28.34 0.24 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.626 ' CZ ' ' CB ' ' A' ' 82' ' ' LYS . 3.0 p90 -51.13 -20.57 1.54 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.157 . . . . 0.0 110.966 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.534 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 0.3 OUTLIER -100.34 -18.68 16.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 110.326 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.445 ' O ' HD11 ' A' ' 17' ' ' ILE . 0.7 OUTLIER -64.84 -11.05 33.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.143 . . . . 0.0 110.296 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.823 ' O ' HD12 ' A' ' 17' ' ' ILE . 34.0 m95 -85.79 -37.99 18.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 107.975 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.906 HD11 ' HD3' ' A' ' 76' ' ' LYS . 1.1 tp -57.72 -42.39 83.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -44.34 -39.84 4.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 110.273 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.823 HD12 ' O ' ' A' ' 14' ' ' TRP . 0.5 OUTLIER -113.82 94.85 3.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.272 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 27.9 mmtm -62.58 174.04 1.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.303 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.524 HG11 ' CA ' ' A' ' 72' ' ' TYR . 0.9 OUTLIER -91.05 148.46 4.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.485 ' HA ' ' C ' ' A' ' 21' ' ' PRO . 0.4 OUTLIER -99.41 158.51 32.08 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.977 -179.956 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.485 ' C ' ' HA ' ' A' ' 20' ' ' SER . 18.5 Cg_endo -74.95 174.47 52.48 Favored 'Cis proline' 0 C--N 1.36 1.148 0 C-N-CA 121.029 -2.488 . . . . 0.0 111.006 -0.013 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 4.08 5.03 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.453 1.765 . . . . 0.0 110.996 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.14 -18.42 60.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 110.256 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.417 ' O ' ' N ' ' A' ' 28' ' ' ARG . . . -73.72 -12.31 80.71 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.554 1.159 . . . . 0.0 110.989 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.88 -17.93 11.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 0.785 . . . . 0.0 109.297 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -84.16 -30.49 25.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.1 . . . . 0.0 110.299 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.709 ' O ' HG12 ' A' ' 30' ' ' VAL . 41.8 m -96.17 -20.86 18.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 110.408 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.564 ' HB2' ' CE2' ' A' ' 72' ' ' TYR . 0.0 OUTLIER -49.75 -23.48 1.83 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.309 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 84.2 mtt180 -75.43 -29.43 59.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.256 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.709 HG12 ' O ' ' A' ' 27' ' ' THR . 9.5 p -95.31 -13.71 8.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 109.277 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.535 HG21 ' HD2' ' A' ' 72' ' ' TYR . 99.1 mt -82.26 -47.55 18.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 109.267 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -50.9 -29.04 10.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.321 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.5 tptp -56.9 -52.23 65.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.328 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 1.005 ' CD1' HD11 ' A' ' 62' ' ' LEU . 0.2 OUTLIER -63.84 -53.5 49.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.925 ' HA ' HG12 ' A' ' 77' ' ' VAL . . . -45.63 -46.8 14.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.145 . . . . 0.0 109.302 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.49 ' O ' ' CG ' ' A' ' 40' ' ' GLU . 28.3 ttt85 -68.19 -28.78 67.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.28 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.457 ' N ' ' O ' ' A' ' 34' ' ' LEU . 13.8 t80 -77.7 -43.21 31.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 110.979 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.792 HG23 HD22 ' A' ' 34' ' ' LEU . 22.2 t -66.18 -75.57 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.824 ' HB3' HD12 ' A' ' 80' ' ' ILE . . . -38.95 -30.81 0.05 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.49 ' CG ' ' O ' ' A' ' 36' ' ' ARG . 2.0 mm-40 -58.2 -67.39 0.35 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.105 . . . . 0.0 110.306 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -85.39 -53.12 3.18 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.481 1.113 . . . . 0.0 111.06 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 38' ' ' VAL . . . 140.57 -139.41 9.69 Favored Glycine 0 CA--C 1.53 0.971 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -32.04 5.8 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.473 1.775 . . . . 0.0 111.01 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -53.03 -33.48 52.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.282 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.554 ' N ' ' CD2' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -71.57 -57.73 4.14 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.487 1.117 . . . . 0.0 109.331 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.39 -32.55 1.38 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 110.292 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.0 mttt -74.78 -55.56 5.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.274 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.406 ' O ' ' N ' ' A' ' 51' ' ' GLU . 55.9 t -56.59 -45.46 82.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.26 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -47.09 -54.01 11.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.163 . . . . 0.0 109.277 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.8 -19.74 2.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 110.991 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' A' ' 48' ' ' VAL . 4.0 tp10 -96.07 -44.58 7.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.294 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.445 ' CG ' ' CE1' ' A' ' 53' ' ' TYR . 47.1 t0 -56.56 -43.31 79.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 0.0 109.321 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.445 ' CE1' ' CG ' ' A' ' 52' ' ' ASP . 2.6 m-85 -113.03 34.74 4.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 111.024 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 6.1 tttt -49.81 -38.96 36.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 109.315 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -119.88 82.67 1.92 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.682 ' O ' HG22 ' A' ' 60' ' ' THR . 0.4 OUTLIER -134.04 122.77 16.5 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.494 ' C ' HG23 ' A' ' 60' ' ' THR . 18.4 Cg_endo -74.96 -14.89 21.11 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.487 1.783 . . . . 0.0 110.993 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -98.92 -49.9 4.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.51 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 1.7 m-85 -83.72 37.56 0.59 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 111.005 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.682 HG22 ' O ' ' A' ' 56' ' ' ASN . 80.7 p -70.6 -13.72 62.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 110.401 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.524 ' CE2' ' CD1' ' A' ' 62' ' ' LEU . 47.3 p90 -68.79 -15.1 63.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.154 . . . . 0.0 111.033 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 1.005 HD11 ' CD1' ' A' ' 34' ' ' LEU . 0.5 OUTLIER -62.93 -48.6 78.22 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.448 1.092 . . . . 0.0 109.289 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.458 ' NE2' ' HA ' ' A' ' 60' ' ' THR . 11.4 p80 -86.44 -25.07 25.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.591 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -71.01 95.91 1.24 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.336 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.595 ' HA ' ' CE2' ' A' ' 70' ' ' PHE . 0.0 OUTLIER -89.88 47.64 1.48 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.297 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.462 ' O ' ' ND2' ' A' ' 66' ' ' ASN . 1.5 p-10 175.83 40.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.34 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 52.9 p -111.22 177.3 4.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.033 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.453 ' O ' HG21 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -90.61 -18.43 25.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 110.298 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.423 ' CD ' ' HB3' ' A' ' 61' ' ' PHE . 1.4 pt-20 -96.02 -13.23 23.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 110.294 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.595 ' CE2' ' HA ' ' A' ' 65' ' ' LYS . 62.4 t80 -91.45 -24.59 19.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 111.005 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 43.9 mt -79.83 -53.72 6.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.248 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.564 ' CE2' ' HB2' ' A' ' 28' ' ' ARG . 41.2 t80 -53.69 -36.33 62.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 111.035 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 1.014 ' O ' HG13 ' A' ' 77' ' ' VAL . 0.1 OUTLIER -52.92 -44.41 66.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 110.998 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.466 ' O ' HG22 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -78.43 -11.97 59.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 110.289 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.503 ' O ' ' CD1' ' A' ' 15' ' ' LEU . 30.5 mmt-85 -87.19 -21.62 25.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.312 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.906 ' HD3' HD11 ' A' ' 15' ' ' LEU . 0.3 OUTLIER -91.12 -40.29 11.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.288 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 1.014 HG13 ' O ' ' A' ' 73' ' ' TYR . 5.2 m -50.85 -43.84 25.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -56.65 -44.25 81.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.514 ' HB2' HD22 ' A' ' 15' ' ' LEU . 20.4 tp10 -58.06 -60.82 3.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.46 1.1 . . . . 0.0 110.268 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.824 HD12 ' HB3' ' A' ' 39' ' ' ALA . 0.0 OUTLIER -62.58 -42.07 94.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.523 ' CG ' ' O ' ' A' ' 77' ' ' VAL . 5.5 mmm180 -38.42 -50.65 1.53 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.1 . . . . 0.0 110.3 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.626 ' CB ' ' CZ ' ' A' ' 11' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.312 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 t -113.33 67.37 0.67 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 0.733 . . . . 0.0 110.007 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.9 p -163.11 119.81 1.85 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 110.028 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -138.53 136.17 7.88 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.489 1.118 . . . . 0.0 110.977 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.2 t -129.31 108.48 10.34 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 0.745 . . . . 0.0 109.969 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 86.8 p -117.92 125.48 50.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.012 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 107.8 165.39 21.57 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.49 1.119 . . . . 0.0 110.97 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.413 ' N ' ' OD2' ' A' ' 10' ' ' ASP . 7.9 tt0 -152.3 -67.79 0.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 0.739 . . . . 0.0 110.27 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -52.8 -23.13 6.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 110.333 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.42 ' O ' ' N ' ' A' ' 13' ' ' GLN . 3.9 p30 -48.84 -24.21 1.36 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.142 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.572 ' CE2' ' HG3' ' A' ' 82' ' ' LYS . 0.9 OUTLIER -48.5 -31.29 6.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.098 . . . . 0.0 111.036 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.449 ' N ' ' CD1' ' A' ' 11' ' ' TYR . 6.2 pt-20 -88.66 -22.5 23.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.531 1.145 . . . . 0.0 110.296 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.42 ' N ' ' O ' ' A' ' 10' ' ' ASP . 0.2 OUTLIER -63.62 -11.71 27.38 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.49 1.119 . . . . 0.0 110.314 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 28.4 m95 -88.84 -43.67 11.05 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.577 HD11 ' HD3' ' A' ' 76' ' ' LYS . 0.7 OUTLIER -48.98 -24.65 1.58 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 109.305 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -63.99 -32.45 74.0 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.557 1.161 . . . . 0.0 110.248 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -110.39 94.82 3.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.466 1.104 . . . . 0.0 109.275 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.3 mmmm -81.34 171.55 14.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.269 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.654 HG11 ' N ' ' A' ' 72' ' ' TYR . 1.1 m -88.25 159.89 2.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.518 ' HA ' ' C ' ' A' ' 21' ' ' PRO . 55.2 p -110.51 150.55 41.83 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.132 . . . . 0.0 110.024 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.518 ' C ' ' HA ' ' A' ' 20' ' ' SER . 18.5 Cg_endo -74.93 174.41 52.75 Favored 'Cis proline' 0 C--N 1.36 1.141 0 C-N-CA 121.041 -2.483 . . . . 0.0 111.026 -0.043 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 4.26 4.9 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.477 1.777 . . . . 0.0 111.012 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -77.63 -14.53 59.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 110.278 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -56.36 -20.41 29.49 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.493 1.121 . . . . 0.0 110.995 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.01 -22.49 27.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 0.769 . . . . 0.0 109.359 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -69.37 -37.11 77.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 110.298 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.432 ' O ' ' N ' ' A' ' 30' ' ' VAL . 25.3 m -92.99 -15.04 26.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.397 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.419 ' HD2' ' N ' ' A' ' 29' ' ' ARG . 0.1 OUTLIER -45.14 -46.2 11.8 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.504 1.128 . . . . 0.0 110.294 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.419 ' N ' ' HD2' ' A' ' 28' ' ' ARG . 9.7 mtm-85 -53.83 -30.11 43.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 110.274 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.432 ' N ' ' O ' ' A' ' 27' ' ' THR . 42.3 t -91.3 -41.12 13.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.489 HG23 ' HB2' ' A' ' 73' ' ' TYR . 27.7 mt -58.27 -57.94 8.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 0.0 109.279 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -47.32 -30.15 2.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.308 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.4 tptt -62.58 -48.94 77.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.471 HD21 HD11 ' A' ' 62' ' ' LEU . 56.1 tp -58.79 -62.64 1.72 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.481 ' CB ' HG23 ' A' ' 77' ' ' VAL . . . -46.31 -55.88 6.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.275 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.435 ' O ' ' CB ' ' A' ' 40' ' ' GLU . 4.6 ttt180 -54.88 -23.61 19.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 110.268 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.524 ' O ' HD12 ' A' ' 45' ' ' LEU . 10.0 t80 -93.81 -21.22 19.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 111.01 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.441 ' N ' ' O ' ' A' ' 34' ' ' LEU . 27.0 t -92.79 -75.69 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.964 ' HB3' HD12 ' A' ' 80' ' ' ILE . . . -42.0 -27.85 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.241 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.438 ' N ' ' C ' ' A' ' 38' ' ' VAL . 3.8 tp10 -67.37 -62.31 1.48 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.099 . . . . 0.0 110.268 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -83.4 -59.54 2.12 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.558 1.161 . . . . 0.0 111.046 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 38' ' ' VAL . . . 148.95 -146.4 15.79 Favored Glycine 0 CA--C 1.53 0.975 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -30.77 6.92 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.478 1.778 . . . . 0.0 111.001 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -51.31 -36.29 41.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 110.296 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.541 ' N ' ' CD2' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -70.35 -53.54 16.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 0.0 109.328 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.32 -23.76 2.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 110.296 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -84.33 -38.76 19.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.273 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 47.1 t -73.43 -37.63 51.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.327 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -55.12 -42.36 72.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.298 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.691 ' HA ' HD23 ' A' ' 62' ' ' LEU . 20.5 mtt -58.93 -22.97 60.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.557 1.16 . . . . 0.0 111.054 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -93.78 -40.93 9.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 110.294 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -53.22 -46.6 69.16 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.803 ' CD2' ' CD2' ' A' ' 59' ' ' PHE . 0.6 OUTLIER -108.4 28.39 8.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 111.01 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -40.18 -46.27 2.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -116.99 73.98 0.89 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.413 ' OD1' ' HB3' ' A' ' 58' ' ' ALA . 1.2 t-20 -135.13 119.15 13.29 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.257 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.572 ' C ' HG23 ' A' ' 60' ' ' THR . 18.4 Cg_endo -75.03 0.09 9.35 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.513 1.796 . . . . 0.0 111.021 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.413 ' HB3' ' OD1' ' A' ' 56' ' ' ASN . . . -99.74 -45.46 5.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.287 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.803 ' CD2' ' CD2' ' A' ' 53' ' ' TYR . 0.9 OUTLIER -88.01 29.3 0.95 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 110.979 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.572 HG23 ' C ' ' A' ' 57' ' ' PRO . 61.1 p -63.53 -12.72 34.61 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.145 . . . . 0.0 110.315 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.541 ' CE1' ' HA ' ' A' ' 59' ' ' PHE . 39.5 p90 -74.14 -37.72 63.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 111.035 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.691 HD23 ' HA ' ' A' ' 50' ' ' MET . 2.4 tp -40.19 -71.45 0.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.4 ' O ' ' C ' ' A' ' 64' ' ' ASP . 2.9 m80 -47.88 -72.03 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.557 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 63' ' ' HIS . 11.4 m-20 -40.35 150.29 0.06 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.425 ' HE2' ' CE2' ' A' ' 70' ' ' PHE . 2.7 mtpt -130.41 37.26 3.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.261 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 9.0 p-10 -160.01 35.79 0.18 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 0.0 109.276 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.8 t -114.98 132.22 56.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 110.036 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.662 ' HA ' HD12 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -44.63 -31.78 1.26 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 110.332 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.46 ' N ' ' HG2' ' A' ' 68' ' ' ARG . 0.5 OUTLIER -63.15 -44.54 95.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 110.317 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.425 ' CE2' ' HE2' ' A' ' 65' ' ' LYS . 64.2 t80 -66.36 -16.37 64.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.098 . . . . 0.0 111.021 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.662 HD12 ' HA ' ' A' ' 68' ' ' ARG . 28.1 mt -86.75 -53.74 4.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.654 ' N ' HG11 ' A' ' 19' ' ' VAL . 52.6 t80 -55.84 -33.61 64.66 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.513 1.133 . . . . 0.0 111.01 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.489 ' HB2' HG23 ' A' ' 31' ' ' ILE . 0.9 OUTLIER -64.58 -31.98 73.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 111.011 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.58 -34.92 25.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.284 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.496 ' O ' ' CD1' ' A' ' 15' ' ' LEU . 13.1 mmt180 -63.09 -27.79 69.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 110.327 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.577 ' HD3' HD11 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -89.7 -37.7 14.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.368 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.481 HG23 ' CB ' ' A' ' 35' ' ' ALA . 1.5 t -48.89 -40.75 12.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.343 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.61 -29.77 69.43 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.457 1.098 . . . . 0.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 76' ' ' LYS . 1.2 tm-20 -72.49 -61.6 1.74 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.562 1.164 . . . . 0.0 110.311 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.964 HD12 ' HB3' ' A' ' 39' ' ' ALA . 0.0 OUTLIER -60.21 -35.48 62.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.461 1.1 . . . . 0.0 109.29 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.535 ' HG2' ' HB1' ' A' ' 39' ' ' ALA . 9.1 mmm180 -49.39 -60.69 2.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 110.325 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.572 ' HG3' ' CE2' ' A' ' 11' ' ' TYR . 0.1 OUTLIER -41.23 -58.36 1.83 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.423 1.077 . . . . 0.0 109.279 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -125.0 105.09 8.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 110.028 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -119.95 -86.31 0.97 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.454 1.096 . . . . 0.0 110.981 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 178.08 7.7 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.499 1.789 . . . . 0.0 111.041 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -144.62 89.59 2.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.008 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.1 p -169.23 -71.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.987 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.502 1.126 . . . . 0.0 111.012 179.974 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.8 p -165.12 131.15 2.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 0.761 . . . . 0.0 109.969 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.4 p -167.13 79.83 0.2 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 110.047 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 63.31 157.36 0.14 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.5 1.125 . . . . 0.0 111.024 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 94.3 p -169.14 150.82 4.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 0.754 . . . . 0.0 109.994 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 98.9 p -97.34 122.95 40.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.014 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 61.56 150.4 0.02 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.483 1.114 . . . . 0.0 111.011 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.403 ' C ' ' N ' ' A' ' 10' ' ' ASP . 8.1 mm-40 -104.29 62.82 0.74 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 0.768 . . . . 0.0 110.308 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -45.96 -25.1 0.49 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 110.338 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.419 ' O ' ' N ' ' A' ' 13' ' ' GLN . 0.7 OUTLIER -43.01 -32.43 0.65 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.336 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.58 ' C ' ' CD1' ' A' ' 11' ' ' TYR . 1.3 p90 -49.73 -21.56 1.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 111.022 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -100.64 -20.81 15.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.282 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.422 ' O ' HD11 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -64.19 -11.41 30.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.258 -179.956 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.747 ' O ' HD12 ' A' ' 17' ' ' ILE . 36.3 m95 -88.51 -31.9 18.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 107.957 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.652 HD22 ' CD ' ' A' ' 79' ' ' GLU . 0.9 OUTLIER -60.62 -31.48 70.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -54.56 -30.45 54.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.098 . . . . 0.0 110.342 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.747 HD12 ' O ' ' A' ' 14' ' ' TRP . 0.1 OUTLIER -112.33 94.98 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.267 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.94 173.18 3.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 109.293 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.612 HG21 ' CA ' ' A' ' 72' ' ' TYR . 78.9 t -97.21 141.03 16.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.269 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.518 ' HA ' ' C ' ' A' ' 21' ' ' PRO . 78.3 p -97.29 150.1 36.44 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.012 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.518 ' C ' ' HA ' ' A' ' 20' ' ' SER . 18.4 Cg_endo -75.01 174.32 53.34 Favored 'Cis proline' 0 C--N 1.36 1.141 0 C-N-CA 120.99 -2.504 . . . . 0.0 111.022 -0.022 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 4.4 4.76 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.423 1.749 . . . . 0.0 110.962 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -74.72 -31.32 61.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.438 1.086 . . . . 0.0 110.303 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -63.35 -13.67 50.79 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.541 1.151 . . . . 0.0 110.98 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.423 ' O ' ' CG ' ' A' ' 28' ' ' ARG . . . -53.49 -55.55 24.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 0.781 . . . . 0.0 109.343 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -57.88 -28.06 63.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 110.274 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 9.4 m -80.49 -15.04 57.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 110.402 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.426 ' CD ' ' CD ' ' A' ' 32' ' ' GLU . 0.5 OUTLIER -48.94 -29.88 5.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.274 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.412 ' N ' ' HG3' ' A' ' 28' ' ' ARG . 0.1 OUTLIER -64.78 -26.59 68.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 0.0 110.282 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 47.6 t -95.13 -21.41 5.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 109.269 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.551 HG21 ' HD2' ' A' ' 72' ' ' TYR . 38.6 mt -85.52 -55.83 6.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.426 ' CD ' ' CD ' ' A' ' 28' ' ' ARG . 88.5 mt-10 -42.24 -39.32 2.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 110.283 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.8 tppt? -58.61 -48.14 81.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.271 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.794 HD11 ' CD1' ' A' ' 62' ' ' LEU . 0.6 OUTLIER -52.83 -46.21 67.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 0.0 109.328 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.512 ' HB2' HG23 ' A' ' 77' ' ' VAL . . . -70.49 -61.05 1.92 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.161 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.494 ' O ' ' CG ' ' A' ' 40' ' ' GLU . 1.6 ttt85 -46.03 -27.3 0.9 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.282 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 18.0 t80 -88.55 -46.71 8.87 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 111.016 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.554 HG11 ' OH ' ' A' ' 73' ' ' TYR . 5.1 t -69.02 -72.01 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.896 ' HB3' HD12 ' A' ' 80' ' ' ILE . . . -39.24 -31.82 0.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.494 ' CG ' ' O ' ' A' ' 36' ' ' ARG . 5.7 mm-40 -62.91 -66.09 0.59 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 110.303 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -77.97 -66.65 1.73 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.526 1.141 . . . . 0.0 110.984 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 155.77 -144.29 10.76 Favored Glycine 0 CA--C 1.531 1.041 0 N-CA-C 110.956 -0.857 . . . . 0.0 110.956 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -33.43 4.6 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.5 1.79 . . . . 0.0 111.033 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.662 ' O ' HG23 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -51.44 -29.07 14.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.337 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.566 ' N ' ' CD2' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -77.69 -38.74 46.77 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.49 -40.58 95.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 110.314 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.4 mttt -68.94 -40.68 78.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.662 HG23 ' O ' ' A' ' 44' ' ' GLU . 70.0 t -70.32 -35.87 64.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.122 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -55.25 -43.53 74.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 6.4 mtt -65.9 -12.57 55.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 110.97 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -93.9 -42.13 9.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.337 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 39.0 t0 -66.18 -38.81 88.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.277 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.793 ' CD2' ' CD2' ' A' ' 59' ' ' PHE . 4.7 m-85 -107.53 29.14 7.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.989 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -44.78 -57.4 3.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.095 . . . . 0.0 109.332 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -114.93 82.2 1.69 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.44 1.088 . . . . 0.0 109.281 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.441 ' OD1' ' HB3' ' A' ' 58' ' ' ALA . 1.2 t-20 -135.08 120.09 13.82 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.586 ' C ' HG23 ' A' ' 60' ' ' THR . 18.3 Cg_endo -75.0 -1.4 11.18 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.531 1.806 . . . . 0.0 110.994 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.441 ' HB3' ' OD1' ' A' ' 56' ' ' ASN . . . -99.6 -46.01 5.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.443 1.089 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.793 ' CD2' ' CD2' ' A' ' 53' ' ' TYR . 0.8 OUTLIER -87.93 28.47 1.03 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 111.013 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.586 HG23 ' C ' ' A' ' 57' ' ' PRO . 60.3 p -60.99 -13.68 17.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.16 . . . . 0.0 110.406 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.643 ' HZ ' HD12 ' A' ' 34' ' ' LEU . 40.0 p90 -73.81 -36.74 65.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 111.01 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.794 ' CD1' HD11 ' A' ' 34' ' ' LEU . 4.2 tp -46.7 -71.88 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 109.28 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 2.2 m80 -50.92 -60.46 3.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.565 1.165 . . . . 0.0 109.625 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.99 75.36 0.92 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.346 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.543 ' HG2' ' CE1' ' A' ' 70' ' ' PHE . 26.2 mtpt -44.7 -41.25 6.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 109.288 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -88.37 54.05 2.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 109.324 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 8.4 p -100.68 -81.46 0.47 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 110.046 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.486 ' HG2' ' N ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER 174.68 -30.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 110.272 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.486 ' N ' ' HG2' ' A' ' 68' ' ' ARG . 0.4 OUTLIER -88.96 -32.54 17.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.3 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.543 ' CE1' ' HG2' ' A' ' 65' ' ' LYS . 58.4 t80 -63.08 -29.93 71.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 110.945 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.651 ' N ' HD22 ' A' ' 71' ' ' LEU . 1.3 mm? -72.88 -51.62 17.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.612 ' CA ' HG21 ' A' ' 19' ' ' VAL . 91.7 t80 -57.81 -35.4 70.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.097 . . . . 0.0 111.026 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.554 ' OH ' HG11 ' A' ' 38' ' ' VAL . 2.3 t80 -61.08 -45.45 94.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 111.036 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.33 -29.91 70.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.1 . . . . 0.0 110.255 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 44.3 mmt-85 -67.49 -46.48 72.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 110.301 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.465 ' O ' HG22 ' A' ' 80' ' ' ILE . 0.0 OUTLIER -73.27 -37.75 66.19 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.56 1.163 . . . . 0.0 109.285 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.512 HG23 ' HB2' ' A' ' 35' ' ' ALA . 2.0 t -49.38 -40.56 14.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.133 . . . . 0.0 109.285 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -68.97 -28.36 66.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.652 ' CD ' HD22 ' A' ' 15' ' ' LEU . 18.5 tp10 -75.97 -54.37 6.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.34 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.896 HD12 ' HB3' ' A' ' 39' ' ' ALA . 0.0 OUTLIER -65.95 -40.03 86.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.323 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.494 ' CG ' ' O ' ' A' ' 77' ' ' VAL . 2.7 mmm180 -44.67 -68.51 0.19 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 110.315 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.571 ' HG3' ' CD2' ' A' ' 11' ' ' TYR . 0.4 OUTLIER -48.1 139.69 7.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 27.5 t -163.03 -43.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.995 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -164.31 -86.57 0.06 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.451 1.094 . . . . 0.0 110.976 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 174.74 12.27 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.476 1.777 . . . . 0.0 111.002 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -170.51 153.34 4.21 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 109.977 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 46.5 94.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.017 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 O-C-N 124.516 1.135 . . . . 0.0 110.986 179.996 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.4 p -132.69 165.67 23.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 0.735 . . . . 0.0 109.994 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -97.37 171.53 8.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 110.008 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.61 -155.21 5.17 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.463 1.102 . . . . 0.0 111.016 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 179.07 170.74 0.9 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.433 0.725 . . . . 0.0 110.041 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.7 t -70.13 144.98 51.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.992 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 67.15 149.03 0.12 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.522 1.139 . . . . 0.0 111.025 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 10' ' ' ASP . 1.5 mt-10 -147.22 65.32 1.15 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 0.78 . . . . 0.0 110.277 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.5 ' O ' ' CG ' ' A' ' 12' ' ' GLU . 13.8 mt-10 -39.1 -29.41 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.115 . . . . 0.0 110.304 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.491 ' O ' ' N ' ' A' ' 13' ' ' GLN . 36.7 m-20 -40.99 -55.35 2.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.319 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.577 ' CE1' ' HB3' ' A' ' 12' ' ' GLU . 0.2 OUTLIER -38.08 -29.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 111.029 179.948 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.577 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 2.9 pt-20 -109.28 -23.66 11.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 110.3 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.491 ' N ' ' O ' ' A' ' 10' ' ' ASP . 0.0 OUTLIER -74.26 -15.07 60.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 110.271 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.618 ' O ' HD12 ' A' ' 17' ' ' ILE . 24.5 m95 -85.01 -24.34 28.26 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.452 HD12 ' HA ' ' A' ' 15' ' ' LEU . 1.3 tp -66.33 -29.08 69.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -55.49 -33.08 63.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 110.286 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.618 HD12 ' O ' ' A' ' 14' ' ' TRP . 0.1 OUTLIER -104.72 94.81 3.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.99 170.55 9.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.461 HG11 ' HB2' ' A' ' 71' ' ' LEU . 25.5 t -102.16 119.0 49.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.563 1.165 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.506 ' HA ' ' C ' ' A' ' 21' ' ' PRO . 3.6 p -71.5 150.54 93.8 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 110.01 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.506 ' C ' ' HA ' ' A' ' 20' ' ' SER . 18.3 Cg_endo -75.03 174.41 52.83 Favored 'Cis proline' 0 C--N 1.36 1.15 0 C-N-CA 121.015 -2.494 . . . . 0.0 110.989 0.024 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 4.32 4.85 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.513 1.796 . . . . 0.0 110.977 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -74.11 -19.14 60.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.342 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -57.48 -17.84 27.61 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.466 1.104 . . . . 0.0 111.021 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -47.21 -30.15 2.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 0.749 . . . . 0.0 109.338 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -85.71 -63.09 1.38 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.295 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.814 ' O ' HG12 ' A' ' 30' ' ' VAL . 17.8 m -49.34 -23.35 1.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.395 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.3 tmm_? -47.13 -26.41 1.11 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 0.0 110.317 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 93.7 mtt180 -71.67 -37.16 70.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.448 1.092 . . . . 0.0 110.298 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.814 HG12 ' O ' ' A' ' 27' ' ' THR . 11.9 p -82.76 -13.96 12.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.451 ' CG2' ' HA ' ' A' ' 73' ' ' TYR . 19.7 mt -93.53 -52.74 9.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.127 . . . . 0.0 109.234 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -48.81 -35.35 14.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 110.322 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.0 mmtp -65.22 -45.51 84.43 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.488 1.117 . . . . 0.0 109.298 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.966 HD11 HD21 ' A' ' 62' ' ' LEU . 0.2 OUTLIER -64.27 -47.18 80.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.416 ' HB1' HG22 ' A' ' 77' ' ' VAL . . . -65.41 -47.61 75.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.434 ' O ' ' CB ' ' A' ' 40' ' ' GLU . 0.8 OUTLIER -55.29 -42.69 73.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.282 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.418 ' CZ ' ' CD1' ' A' ' 45' ' ' LEU . 34.9 t80 -73.26 -33.01 65.03 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.536 1.147 . . . . 0.0 110.994 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.6 HG12 ' N ' ' A' ' 39' ' ' ALA . 2.5 t -73.25 -76.02 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.276 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.774 ' HB3' HD12 ' A' ' 80' ' ' ILE . . . -42.03 -28.53 0.18 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.44 ' N ' ' C ' ' A' ' 38' ' ' VAL . 2.9 tp10 -59.89 -57.86 11.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.11 . . . . 0.0 110.267 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.403 ' N ' ' HG3' ' A' ' 40' ' ' GLU . . . -91.24 -50.08 2.89 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.542 1.151 . . . . 0.0 111.01 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 38' ' ' VAL . . . 140.85 -148.05 19.69 Favored Glycine 0 CA--C 1.531 1.058 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -25.75 11.51 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.544 1.813 . . . . 0.0 110.952 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.797 ' O ' HG23 ' A' ' 48' ' ' VAL . 1.5 tm-20 -56.31 -32.68 64.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.297 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.564 ' N ' ' CD2' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -74.82 -48.66 24.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.092 . . . . 0.0 109.302 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.495 ' O ' ' HB3' ' A' ' 49' ' ' ALA . 54.7 tt0 -49.66 -52.9 27.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.28 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.7 mtmt -59.8 -56.21 24.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 109.327 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.797 HG23 ' O ' ' A' ' 44' ' ' GLU . 76.3 t -50.73 -44.7 26.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.112 . . . . 0.0 109.32 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.495 ' HB3' ' O ' ' A' ' 46' ' ' GLU . . . -44.54 -57.91 3.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.328 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 5.0 mtt -46.26 -23.85 0.4 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 111.033 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -97.82 -54.49 3.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.093 . . . . 0.0 110.346 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.532 ' HB3' ' CD1' ' A' ' 53' ' ' TYR . 1.1 m-20 -48.88 -40.06 28.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.113 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.565 ' N ' ' CD1' ' A' ' 53' ' ' TYR . 1.3 m-30 -103.21 28.17 6.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 111.038 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.457 ' C ' ' O ' ' A' ' 53' ' ' TYR . 0.5 OUTLIER -36.33 -40.4 0.23 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.262 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -106.47 77.12 1.18 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 109.314 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.62 ' O ' HG22 ' A' ' 60' ' ' THR . 0.2 OUTLIER -104.09 119.65 53.55 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.098 . . . . 0.0 109.284 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.469 ' O ' HG23 ' A' ' 60' ' ' THR . 18.3 Cg_endo -75.04 -58.74 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.486 1.782 . . . . 0.0 111.015 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -99.54 -14.77 18.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 0.0 109.26 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.57 ' CD1' ' CE1' ' A' ' 61' ' ' PHE . 0.2 OUTLIER -87.91 29.72 0.9 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 111.004 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.62 HG22 ' O ' ' A' ' 56' ' ' ASN . 74.4 p -77.48 -16.92 58.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.575 1.172 . . . . 0.0 110.406 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.604 ' CZ ' HD12 ' A' ' 34' ' ' LEU . 46.7 p90 -57.34 -22.66 43.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.145 . . . . 0.0 110.965 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.966 HD21 HD11 ' A' ' 34' ' ' LEU . 8.0 mt -55.24 -65.35 0.6 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 10.3 m-70 -53.03 -70.62 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.565 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.403 ' O ' ' O ' ' A' ' 61' ' ' PHE . 1.0 OUTLIER -59.28 110.45 1.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.285 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.568 ' HG3' ' CZ ' ' A' ' 70' ' ' PHE . 0.0 OUTLIER -67.8 -66.76 0.52 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 109.295 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -70.15 67.37 0.3 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.12 . . . . 0.0 109.335 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.408 ' N ' ' O ' ' A' ' 65' ' ' LYS . 30.4 t -110.11 -86.01 0.54 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.989 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.478 ' HG2' ' N ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER 174.21 -30.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.332 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.523 ' HB3' ' CG ' ' A' ' 61' ' ' PHE . 0.5 OUTLIER -91.79 -12.26 34.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 110.285 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.568 ' CZ ' ' HG3' ' A' ' 65' ' ' LYS . 47.9 t80 -91.57 -22.2 20.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 111.013 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.634 ' N ' HD12 ' A' ' 71' ' ' LEU . 2.9 mp -74.16 -53.38 9.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 109.258 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.445 ' N ' HG21 ' A' ' 19' ' ' VAL . 64.2 t80 -63.72 -36.53 84.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 111.012 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.543 ' OH ' HG11 ' A' ' 38' ' ' VAL . 7.8 t80 -50.92 -62.35 1.67 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 110.942 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.56 -40.59 62.74 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.119 . . . . 0.0 110.265 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 48.6 mmt-85 -58.34 -61.91 2.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.305 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.445 ' O ' ' N ' ' A' ' 79' ' ' GLU . 3.1 mmtt -59.44 -37.33 77.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.528 HG23 ' O ' ' A' ' 73' ' ' TYR . 2.7 t -48.7 -38.99 10.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.277 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.466 ' HB1' ' HA ' ' A' ' 11' ' ' TYR . . . -68.13 -31.95 71.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 76' ' ' LYS . 14.2 tp10 -70.8 -58.51 3.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.345 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.774 HD12 ' HB3' ' A' ' 39' ' ' ALA . 0.0 OUTLIER -59.72 -40.18 81.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 109.328 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 7.1 mmm-85 -43.0 -61.46 1.29 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.288 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.08 129.13 38.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.14 86.47 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.962 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 37.84 70.76 0.25 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.555 1.159 . . . . 0.0 111.015 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 163.27 35.73 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.49 1.784 . . . . 0.0 110.984 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.09 85.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 110.0 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 90.3 p 39.98 90.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 110.001 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.432 1.083 . . . . 0.0 111.024 -179.995 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.3 m -128.31 135.32 49.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 0.771 . . . . 0.0 110.025 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 m 179.54 90.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 110.025 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 123.25 60.01 0.2 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.583 1.177 . . . . 0.0 111.015 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 44.96 92.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 0.768 . . . . 0.0 110.02 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 m -112.57 116.09 29.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.11 . . . . 0.0 110.004 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 149.97 -26.77 1.15 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.517 1.136 . . . . 0.0 110.984 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -120.81 -58.82 1.79 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 0.766 . . . . 0.0 110.293 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.441 ' HA ' ' CD2' ' A' ' 11' ' ' TYR . 0.3 OUTLIER -47.4 -24.33 0.78 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 110.304 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.463 ' O ' ' N ' ' A' ' 13' ' ' GLN . 5.2 m-20 -40.58 -34.05 0.33 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 109.317 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.575 ' HA ' ' HB1' ' A' ' 78' ' ' ALA . 1.9 p90 -42.67 -24.31 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.972 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.57 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 2.6 pt-20 -106.08 -27.13 11.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.1 . . . . 0.0 110.312 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.463 ' N ' ' O ' ' A' ' 10' ' ' ASP . 3.7 pt20 -64.58 -16.91 63.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 110.314 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.486 ' O ' HD12 ' A' ' 17' ' ' ILE . 26.1 m95 -85.52 -32.7 22.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 108.023 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.45 HD12 ' HA ' ' A' ' 15' ' ' LEU . 0.8 OUTLIER -55.44 -19.31 8.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.153 . . . . 0.0 109.307 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -68.32 -36.94 80.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.115 . . . . 0.0 110.307 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.637 ' H ' HD12 ' A' ' 17' ' ' ILE . 0.1 OUTLIER -109.65 95.05 3.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.28 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.0 mmtm -68.15 -179.68 1.32 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.546 HG11 ' HB2' ' A' ' 71' ' ' LEU . 56.0 t -109.0 140.32 28.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.332 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.498 ' CB ' ' HA ' ' A' ' 21' ' ' PRO . 0.6 OUTLIER -97.49 160.36 28.95 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.426 1.079 . . . . 0.0 109.991 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.498 ' HA ' ' CB ' ' A' ' 20' ' ' SER . 18.2 Cg_endo -75.04 174.49 52.42 Favored 'Cis proline' 0 C--N 1.36 1.163 0 C-N-CA 121.0 -2.5 . . . . 0.0 111.006 0.022 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 4.18 4.95 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.514 1.797 . . . . 0.0 110.972 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -73.53 -37.85 65.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.277 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.418 ' O ' ' N ' ' A' ' 27' ' ' THR . . . -55.98 -16.8 14.08 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.485 1.116 . . . . 0.0 110.991 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -44.22 -51.4 8.26 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 0.757 . . . . 0.0 109.33 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -69.25 -28.6 66.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 110.309 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.418 ' N ' ' O ' ' A' ' 24' ' ' GLY . 88.3 m -75.39 -14.91 60.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.389 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.44 ' O ' ' N ' ' A' ' 32' ' ' GLU . 0.0 OUTLIER -48.02 -33.73 8.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 110.304 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.45 -28.91 69.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.556 1.16 . . . . 0.0 110.318 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 95.9 t -94.46 -28.17 4.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.44 1.087 . . . . 0.0 109.285 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.679 HG23 ' HB2' ' A' ' 73' ' ' TYR . 30.6 mt -79.02 -65.74 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -40.79 -37.59 0.79 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.323 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.8 mmmt -56.38 -49.66 73.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 109.273 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.465 HD21 HD11 ' A' ' 62' ' ' LEU . 33.4 tp -60.03 -19.79 54.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' A' ' 32' ' ' GLU . . . -89.34 -57.02 3.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.273 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.471 ' O ' ' CG ' ' A' ' 40' ' ' GLU . 18.9 ttt-85 -56.92 -18.88 15.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 110.267 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 53.0 t80 -92.96 -42.64 9.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 111.011 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.435 HG12 ' N ' ' A' ' 39' ' ' ALA . 6.8 t -73.84 -73.61 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.285 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.848 ' HB3' HD12 ' A' ' 80' ' ' ILE . . . -39.2 -32.74 0.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.471 ' CG ' ' O ' ' A' ' 36' ' ' ARG . 3.8 mm-40 -57.52 -66.33 0.48 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.44 1.087 . . . . 0.0 110.269 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -75.91 -61.11 2.96 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.452 1.095 . . . . 0.0 111.03 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 152.56 -145.05 12.24 Favored Glycine 0 CA--C 1.53 0.986 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.476 ' O ' ' N ' ' A' ' 46' ' ' GLU . 18.1 Cg_endo -75.04 -36.09 2.73 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.505 1.792 . . . . 0.0 110.972 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -50.2 -31.55 14.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 110.303 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.571 ' N ' ' CD2' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -72.57 -27.03 61.94 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 0.0 109.293 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.476 ' N ' ' O ' ' A' ' 43' ' ' PRO . 61.7 tt0 -80.01 -25.52 40.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 0.0 110.272 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.534 ' N ' ' CD ' ' A' ' 47' ' ' LYS . 0.1 OUTLIER -82.71 -29.65 29.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 109.277 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 41.0 t -83.01 -36.28 12.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.095 . . . . 0.0 109.335 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.82 -43.01 90.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.434 1.084 . . . . 0.0 109.275 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.33 -20.53 55.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 110.961 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -97.78 -50.37 4.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.275 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -48.5 -46.32 38.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.497 ' CD2' ' CD2' ' A' ' 59' ' ' PHE . 2.5 m-85 -104.17 28.64 6.62 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.143 . . . . 0.0 111.051 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -46.43 -44.99 17.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -120.62 82.01 1.85 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.318 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -135.07 119.59 13.57 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.523 1.14 . . . . 0.0 109.268 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.552 ' C ' HG23 ' A' ' 60' ' ' THR . 18.4 Cg_endo -74.98 -4.06 14.85 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.503 1.791 . . . . 0.0 111.033 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -100.04 -49.44 4.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 0.0 109.283 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.561 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 2.1 m-85 -86.88 32.29 0.67 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.101 . . . . 0.0 111.006 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.552 HG23 ' C ' ' A' ' 57' ' ' PRO . 59.6 p -64.14 -11.93 35.06 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.129 . . . . 0.0 110.369 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.561 ' CE1' ' HA ' ' A' ' 59' ' ' PHE . 45.2 p90 -73.3 -27.8 61.74 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 110.97 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.465 HD11 HD21 ' A' ' 34' ' ' LEU . 0.6 OUTLIER -39.65 -70.6 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -74.49 58.6 0.77 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.133 . . . . 0.0 109.58 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -165.13 107.22 0.81 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.344 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.581 ' HA ' ' CD2' ' A' ' 70' ' ' PHE . 3.7 mtpt -101.01 36.99 1.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 109.26 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 28.2 m-80 -173.15 47.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 13.5 t -111.49 -83.85 0.57 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.987 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.463 ' HG2' ' N ' ' A' ' 69' ' ' GLU . 0.1 OUTLIER 174.46 -30.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 110.356 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.526 ' HB3' ' CG ' ' A' ' 61' ' ' PHE . 1.0 OUTLIER -87.61 -15.55 37.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 110.323 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.581 ' CD2' ' HA ' ' A' ' 65' ' ' LYS . 78.1 t80 -93.17 -31.6 14.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 110.98 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.614 ' N ' HD12 ' A' ' 71' ' ' LEU . 2.8 mp -71.82 -51.82 20.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.413 ' N ' HG21 ' A' ' 19' ' ' VAL . 53.1 t80 -60.18 -33.78 72.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 111.01 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.679 ' HB2' HG23 ' A' ' 31' ' ' ILE . 0.4 OUTLIER -64.24 -55.3 22.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 111.002 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -59.39 -25.41 64.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 110.354 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -66.48 -78.87 0.05 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.559 1.162 . . . . 0.0 110.317 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.48 ' O ' HG22 ' A' ' 80' ' ' ILE . 0.0 OUTLIER -44.32 -34.09 1.83 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.091 . . . . 0.0 109.305 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.587 HG23 ' O ' ' A' ' 73' ' ' TYR . 2.2 t -46.39 -42.87 5.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.575 ' HB1' ' HA ' ' A' ' 11' ' ' TYR . . . -62.58 -35.85 80.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.46 1.1 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 76' ' ' LYS . 5.8 tp10 -68.84 -58.79 3.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 110.314 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.848 HD12 ' HB3' ' A' ' 39' ' ' ALA . 0.0 OUTLIER -60.61 -39.87 82.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.27 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.405 ' HG2' ' CB ' ' A' ' 39' ' ' ALA . 4.4 mmm180 -46.08 -60.76 2.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 110.269 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.552 ' CD ' ' CD2' ' A' ' 11' ' ' TYR . 1.0 OUTLIER -51.43 158.7 0.82 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.483 ' CB ' ' O ' ' A' ' 82' ' ' LYS . 2.2 t 83.75 51.12 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.567 1.167 . . . . 0.0 110.034 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 41.09 90.74 0.01 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.469 1.105 . . . . 0.0 111.003 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 69.89 5.37 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.485 1.782 . . . . 0.0 111.043 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 60.77 89.14 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 110.001 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 20.9 m 55.45 97.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.15 . . . . 0.0 109.993 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 O-C-N 124.479 1.112 . . . . 0.0 111.021 179.985 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 111.034 -0.827 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.0 m 64.43 161.92 0.12 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.471 0.747 . . . . 0.0 110.004 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -169.51 168.75 9.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.962 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -161.14 130.47 2.36 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.505 1.128 . . . . 0.0 111.039 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.4 m -108.76 73.63 0.87 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 0.74 . . . . 0.0 110.004 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.8 t -111.6 95.53 5.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 0.0 110.007 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -46.14 102.45 0.04 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.509 1.13 . . . . 0.0 111.009 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -124.83 165.42 18.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 0.778 . . . . 0.0 110.346 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -47.37 -24.17 0.73 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.139 . . . . 0.0 110.289 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.474 ' CA ' ' HG2' ' A' ' 13' ' ' GLN . 15.7 m-20 -50.98 -30.67 15.66 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.532 1.145 . . . . 0.0 109.284 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.516 ' CE1' ' HB2' ' A' ' 12' ' ' GLU . 2.6 p90 -40.76 -25.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.57 1.169 . . . . 0.0 110.999 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.516 ' HB2' ' CE1' ' A' ' 11' ' ' TYR . 19.5 tt0 -106.94 -27.22 10.82 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.116 . . . . 0.0 110.32 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.474 ' HG2' ' CA ' ' A' ' 10' ' ' ASP . 4.2 pt20 -63.5 -11.81 26.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 110.284 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 21.7 m95 -88.63 -18.51 27.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 107.985 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.584 HD11 ' CD ' ' A' ' 76' ' ' LYS . 1.1 tp -72.98 -30.29 63.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -53.6 -37.06 62.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.269 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.568 ' H ' HD12 ' A' ' 17' ' ' ILE . 0.1 OUTLIER -100.34 94.8 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.281 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.6 157.44 32.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.436 ' CG2' ' HG3' ' A' ' 75' ' ' ARG . 54.4 t -87.17 116.36 29.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.329 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.516 ' HA ' ' C ' ' A' ' 21' ' ' PRO . 5.1 p -72.51 150.73 91.5 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.101 . . . . 0.0 109.992 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.516 ' C ' ' HA ' ' A' ' 20' ' ' SER . 18.3 Cg_endo -75.0 174.37 53.04 Favored 'Cis proline' 0 C--N 1.36 1.135 0 C-N-CA 121.01 -2.496 . . . . 0.0 110.983 0.028 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 4.39 4.79 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.526 1.803 . . . . 0.0 110.962 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -69.21 -31.57 70.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 110.291 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -58.12 -15.4 21.83 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.493 1.121 . . . . 0.0 111.017 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -41.96 -35.87 0.97 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 0.756 . . . . 0.0 109.307 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.401 ' C ' ' N ' ' A' ' 28' ' ' ARG . 1.2 tp10 -78.96 -62.39 1.71 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 110.295 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.658 ' O ' HG12 ' A' ' 30' ' ' VAL . 7.0 m -44.75 -25.62 0.31 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 110.429 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.444 ' C ' ' CD ' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -47.23 -26.44 1.19 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 110.291 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.4 mtt180 -75.12 -35.19 61.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.437 1.086 . . . . 0.0 110.299 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.706 HG22 ' HE1' ' A' ' 59' ' ' PHE . 5.3 p -86.85 -21.53 7.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.437 HD12 ' HD2' ' A' ' 72' ' ' TYR . 25.7 mt -77.77 -55.68 9.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.486 ' O ' ' CB ' ' A' ' 36' ' ' ARG . 72.2 mt-10 -43.77 -26.1 0.23 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 110.288 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.7 mmtp -66.77 -48.67 68.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.739 HD11 HD11 ' A' ' 62' ' ' LEU . 1.5 tt -55.29 -51.63 66.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 38' ' ' VAL . . . -67.51 -58.85 3.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 109.299 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.486 ' CB ' ' O ' ' A' ' 32' ' ' GLU . 33.6 ttm180 -46.74 -26.29 0.91 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.335 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.556 ' O ' HD12 ' A' ' 45' ' ' LEU . 38.1 t80 -93.82 -26.31 16.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.978 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.515 HG12 ' N ' ' A' ' 39' ' ' ALA . 3.4 t -87.86 -74.9 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.107 . . . . 0.0 109.267 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.81 ' HB3' HD12 ' A' ' 80' ' ' ILE . . . -41.21 -28.49 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.439 ' N ' ' C ' ' A' ' 38' ' ' VAL . 1.1 tt0 -66.94 -57.01 7.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 110.281 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -84.97 -59.18 2.0 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.477 1.111 . . . . 0.0 110.994 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 38' ' ' VAL . . . 147.76 -146.95 17.21 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 111.049 -0.821 . . . . 0.0 111.049 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -33.77 4.31 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.487 1.783 . . . . 0.0 110.961 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.411 ' O ' HG23 ' A' ' 48' ' ' VAL . 0.3 OUTLIER -50.15 -32.14 15.34 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.473 1.108 . . . . 0.0 110.34 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.556 HD12 ' O ' ' A' ' 37' ' ' PHE . 0.1 OUTLIER -73.17 -58.89 2.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.298 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -44.21 -26.35 0.31 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 110.353 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.13 -45.14 15.56 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.427 ' N ' ' O ' ' A' ' 45' ' ' LEU . 52.2 t -67.87 -38.34 79.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.06 -49.57 75.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.09 . . . . 0.0 109.301 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.49 ' HA ' HD23 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -51.23 -23.58 3.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 111.028 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -99.15 -51.73 3.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.318 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.551 ' HB3' ' CD1' ' A' ' 53' ' ' TYR . 4.2 t0 -43.54 -47.73 7.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.296 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.551 ' CD1' ' HB3' ' A' ' 52' ' ' ASP . 0.9 OUTLIER -100.4 27.78 5.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.972 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -49.08 -37.01 19.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.321 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -116.34 81.19 1.57 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.265 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.643 ' O ' HG22 ' A' ' 60' ' ' THR . 0.8 OUTLIER -135.05 119.36 13.48 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.118 . . . . 0.0 109.351 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.544 ' C ' HG23 ' A' ' 60' ' ' THR . 18.2 Cg_endo -75.01 -17.67 19.34 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.505 1.792 . . . . 0.0 110.968 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -96.95 -45.79 6.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.307 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.706 ' HE1' HG22 ' A' ' 30' ' ' VAL . 0.7 OUTLIER -85.54 36.63 0.66 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.992 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.643 HG22 ' O ' ' A' ' 56' ' ' ASN . 67.4 p -71.55 -11.86 61.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 110.38 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.527 ' CG ' ' HB3' ' A' ' 69' ' ' GLU . 45.5 p90 -71.43 -23.12 61.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 110.979 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.739 HD11 HD11 ' A' ' 34' ' ' LEU . 0.7 OUTLIER -43.93 -71.27 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 109.303 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 -47.1 -60.87 2.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.612 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -54.28 157.34 2.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 109.325 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.591 ' HA ' ' CD2' ' A' ' 70' ' ' PHE . 32.0 mttt -141.06 55.92 1.56 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -174.23 37.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 5.9 t -116.16 158.96 22.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 109.979 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.94 -15.66 63.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.3 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.527 ' HB3' ' CG ' ' A' ' 61' ' ' PHE . 4.4 tt0 -87.8 -45.6 10.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.286 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.591 ' CD2' ' HA ' ' A' ' 65' ' ' LYS . 73.0 t80 -71.61 -21.63 61.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 111.026 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 46.1 mt -83.12 -62.81 1.49 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.28 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.437 ' HD2' HD12 ' A' ' 31' ' ' ILE . 55.1 t80 -49.57 -28.11 5.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 110.98 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.681 ' O ' HG23 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -58.89 -54.46 46.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 111.046 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 5.0 mtm180 -68.26 -32.33 72.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.431 1.082 . . . . 0.0 110.266 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.436 ' HG3' ' CG2' ' A' ' 19' ' ' VAL . 23.7 mmt85 -61.27 -44.27 97.51 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.133 . . . . 0.0 110.296 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.584 ' CD ' HD11 ' A' ' 15' ' ' LEU . 5.2 mmmt -77.3 -32.15 55.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.681 HG23 ' O ' ' A' ' 73' ' ' TYR . 2.7 t -47.67 -39.66 7.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.409 ' HB1' ' HA ' ' A' ' 11' ' ' TYR . . . -66.12 -34.05 77.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.514 ' HB2' HD22 ' A' ' 15' ' ' LEU . 23.4 tp10 -69.41 -56.8 6.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 110.315 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.81 HD12 ' HB3' ' A' ' 39' ' ' ALA . 0.0 OUTLIER -64.56 -39.85 87.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 109.287 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.462 ' CG ' ' O ' ' A' ' 77' ' ' VAL . 2.8 mmm180 -43.55 -58.59 2.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 110.306 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.46 ' HG3' ' CE2' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -40.14 -76.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.285 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -127.33 -74.57 0.59 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 110.03 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 69.03 74.81 0.58 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.474 1.109 . . . . 0.0 110.993 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -87.57 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.543 1.812 . . . . 0.0 111.013 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 175.87 99.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 109.996 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 7.9 t 69.73 121.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.016 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 O-C-N 124.534 1.146 . . . . 0.0 110.987 179.987 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.7 p -175.13 155.09 1.89 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 0.74 . . . . 0.0 109.997 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.7 p -156.58 130.66 8.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.018 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.26 171.55 38.16 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.528 1.142 . . . . 0.0 110.956 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 179.6 166.9 1.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 0.781 . . . . 0.0 109.999 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.5 p -118.98 121.56 40.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.985 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 152.64 -68.59 0.31 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.478 1.111 . . . . 0.0 111.008 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -54.45 154.96 4.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 0.745 . . . . 0.0 110.324 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.549 ' HA ' ' CD2' ' A' ' 11' ' ' TYR . 2.8 mt-10 -50.9 -21.04 1.52 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 110.256 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.466 ' O ' ' N ' ' A' ' 13' ' ' GLN . 16.6 m-20 -52.98 -20.4 3.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.586 ' CE1' ' HB3' ' A' ' 12' ' ' GLU . 4.2 p90 -48.01 -27.34 2.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 111.04 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.586 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 0.1 OUTLIER -89.36 -24.37 21.99 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.443 1.089 . . . . 0.0 110.259 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.466 ' N ' ' O ' ' A' ' 10' ' ' ASP . 1.2 pp0? -58.36 -16.31 14.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.353 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.563 ' O ' HD12 ' A' ' 17' ' ' ILE . 25.0 m95 -74.79 -20.74 59.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 108.001 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.45 HD21 ' HA ' ' A' ' 76' ' ' LYS . 11.1 mt -70.15 -39.07 75.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -47.22 -36.82 9.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 110.312 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.588 ' H ' HD12 ' A' ' 17' ' ' ILE . 0.4 OUTLIER -113.47 94.9 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.277 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.03 -177.14 0.6 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.528 HG11 ' CA ' ' A' ' 72' ' ' TYR . 2.7 m -97.42 164.08 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.133 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.49 ' HA ' ' C ' ' A' ' 21' ' ' PRO . 3.6 m -123.96 156.73 65.33 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.979 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.49 ' C ' ' HA ' ' A' ' 20' ' ' SER . 18.5 Cg_endo -74.9 174.43 52.62 Favored 'Cis proline' 0 C--N 1.359 1.127 0 C-N-CA 121.013 -2.494 . . . . 0.0 111.052 -0.116 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 4.21 4.94 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.51 1.795 . . . . 0.0 110.989 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.02 -20.65 59.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 110.278 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.414 ' O ' ' N ' ' A' ' 27' ' ' THR . . . -65.38 -14.2 59.43 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.495 1.122 . . . . 0.0 111.019 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -43.4 -48.12 7.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 0.772 . . . . 0.0 109.292 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -45.98 -39.15 8.58 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.108 . . . . 0.0 110.365 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.872 HG22 HG13 ' A' ' 31' ' ' ILE . 98.3 m -93.17 -28.33 16.36 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.475 1.109 . . . . 0.0 110.446 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.551 ' HG2' ' CE2' ' A' ' 72' ' ' TYR . 1.1 tmm_? -41.48 -51.16 3.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 110.337 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.421 ' N ' ' HD2' ' A' ' 28' ' ' ARG . 6.0 mtt180 -60.02 -37.15 78.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.304 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.448 ' N ' ' O ' ' A' ' 27' ' ' THR . 53.4 t -71.61 -51.43 32.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.872 HG13 HG22 ' A' ' 27' ' ' THR . 21.2 mt -53.01 -42.98 46.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -41.56 -43.59 2.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.292 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.1 mmmm -72.17 -39.45 68.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.853 HD21 HD21 ' A' ' 62' ' ' LEU . 45.3 tp -57.07 -64.9 0.72 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.272 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.48 -46.43 76.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.341 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.3 ttp180 -56.99 -37.74 72.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.55 1.156 . . . . 0.0 110.301 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.682 ' CZ ' ' CD1' ' A' ' 45' ' ' LEU . 21.5 t80 -78.4 -39.37 39.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 110.975 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.428 ' C ' ' N ' ' A' ' 40' ' ' GLU . 23.1 t -64.29 -75.84 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 109.272 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.799 ' HB3' HD12 ' A' ' 80' ' ' ILE . . . -40.99 -29.32 0.1 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.125 . . . . 0.0 109.299 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.428 ' N ' ' C ' ' A' ' 38' ' ' VAL . 2.1 mm-40 -62.04 -65.13 0.74 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.278 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -81.48 -62.8 1.92 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.522 1.139 . . . . 0.0 110.948 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 154.19 -144.58 11.38 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -34.11 4.06 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.519 1.799 . . . . 0.0 110.955 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.464 ' O ' HG23 ' A' ' 48' ' ' VAL . 0.7 OUTLIER -51.71 -30.49 22.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 110.338 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.682 ' CD1' ' CZ ' ' A' ' 37' ' ' PHE . 0.1 OUTLIER -73.65 -55.72 5.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.317 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.08 -37.2 6.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.307 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.8 mttt -70.16 -56.29 7.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 109.342 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 44' ' ' GLU . 53.5 t -54.76 -38.85 45.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -49.42 -51.33 36.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 14.0 mtt -57.01 -18.29 13.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.122 . . . . 0.0 110.962 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -93.63 -38.27 11.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.291 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.406 ' HB3' ' CE1' ' A' ' 53' ' ' TYR . 1.1 m-20 -63.66 -31.63 72.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.302 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.758 ' CD2' ' CD2' ' A' ' 59' ' ' PHE . 2.4 m-85 -121.95 31.36 6.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.987 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.14 -37.94 56.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -121.24 69.23 0.9 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.529 1.143 . . . . 0.0 109.265 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -135.29 119.87 13.49 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 109.295 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.539 ' HA ' ' CG2' ' A' ' 60' ' ' THR . 18.4 Cg_endo -74.98 -3.3 13.72 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.482 1.78 . . . . 0.0 110.99 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -99.41 -36.73 9.48 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.451 1.094 . . . . 0.0 109.31 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.758 ' CD2' ' CD2' ' A' ' 53' ' ' TYR . 1.2 m-85 -93.53 29.35 2.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 110.985 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.539 ' CG2' ' HA ' ' A' ' 57' ' ' PRO . 66.0 p -69.33 -13.27 62.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.446 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.606 ' CE1' ' CD2' ' A' ' 59' ' ' PHE . 42.8 p90 -68.55 -41.87 79.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.99 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.853 HD21 HD21 ' A' ' 34' ' ' LEU . 11.5 mt -40.12 -71.28 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.145 . . . . 0.0 109.301 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 20.8 m-70 -41.74 -57.27 2.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.63 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.77 129.2 40.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.479 ' O ' ' CD1' ' A' ' 70' ' ' PHE . 4.3 mmtt -90.16 -66.83 0.89 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.431 1.082 . . . . 0.0 109.33 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -99.13 84.41 3.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.263 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 9.8 t -123.61 -71.44 0.72 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 110.03 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.592 ' HA ' HD12 ' A' ' 71' ' ' LEU . 0.0 OUTLIER 174.42 -30.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.323 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.553 ' HG2' HD11 ' A' ' 31' ' ' ILE . 0.1 OUTLIER -89.8 -46.97 8.21 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.456 1.098 . . . . 0.0 110.3 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.479 ' CD1' ' O ' ' A' ' 65' ' ' LYS . 29.7 t80 -55.99 -16.46 4.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 0.0 110.972 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.592 HD12 ' HA ' ' A' ' 68' ' ' ARG . 15.9 mt -79.1 -55.85 4.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.153 . . . . 0.0 109.286 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.551 ' CE2' ' HG2' ' A' ' 28' ' ' ARG . 15.0 t80 -56.35 -43.19 78.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.995 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.944 ' O ' HG23 ' A' ' 77' ' ' VAL . 1.7 t80 -44.11 -30.84 0.81 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 111.014 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.408 ' CD ' ' O ' ' A' ' 70' ' ' PHE . 0.0 OUTLIER -93.69 -31.27 14.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.328 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.403 ' N ' ' O ' ' A' ' 72' ' ' TYR . 24.2 mmt180 -58.14 -36.22 72.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 110.264 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.474 ' O ' ' N ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -86.33 -35.75 19.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.944 HG23 ' O ' ' A' ' 73' ' ' TYR . 2.6 t -41.29 -40.47 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.6 -46.75 81.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.091 . . . . 0.0 109.286 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.474 ' N ' ' O ' ' A' ' 76' ' ' LYS . 22.1 tp10 -56.63 -60.75 3.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 110.312 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.799 HD12 ' HB3' ' A' ' 39' ' ' ALA . 0.0 OUTLIER -61.27 -41.55 90.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.501 ' CG ' ' O ' ' A' ' 77' ' ' VAL . 3.1 mmm180 -40.82 -61.69 0.92 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.304 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.57 ' HD3' ' CD2' ' A' ' 11' ' ' TYR . 0.6 OUTLIER -40.56 -76.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.276 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.2 m -155.46 145.82 21.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 110.032 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -164.6 66.85 0.22 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.483 1.114 . . . . 0.0 110.971 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -87.05 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.47 1.774 . . . . 0.0 110.986 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 174.56 142.93 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.13 . . . . 0.0 109.976 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 28.9 t -77.02 95.99 4.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.952 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.481 1.113 . . . . 0.0 111.039 179.962 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.066 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.4 p -137.85 -58.8 0.67 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 0.776 . . . . 0.0 109.981 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.8 m -39.62 158.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 110.004 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.34 -120.51 1.66 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.484 1.115 . . . . 0.0 110.992 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 69.59 -77.17 0.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 0.768 . . . . 0.0 110.035 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 p -71.8 135.97 46.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 110.016 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -69.21 72.11 0.43 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.528 1.143 . . . . 0.0 110.976 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.426 ' C ' ' N ' ' A' ' 10' ' ' ASP . 19.6 pt-20 -108.83 -44.88 3.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 0.76 . . . . 0.0 110.26 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.404 ' N ' ' HG3' ' A' ' 8' ' ' GLU . 2.7 mt-10 -37.95 -31.97 0.05 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.142 . . . . 0.0 110.27 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.5 ' O ' ' N ' ' A' ' 13' ' ' GLN . 7.6 p-10 -41.94 -53.51 3.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.633 ' HA ' ' HB1' ' A' ' 78' ' ' ALA . 0.2 OUTLIER -37.77 -30.45 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.482 1.114 . . . . 0.0 111.0 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.569 ' HB2' ' CE1' ' A' ' 11' ' ' TYR . 15.9 tt0 -103.93 -29.05 11.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.22 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.5 ' N ' ' O ' ' A' ' 10' ' ' ASP . 1.5 pt20 -66.22 -17.6 64.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 110.294 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.563 ' O ' HD12 ' A' ' 17' ' ' ILE . 28.4 m95 -85.48 -31.7 22.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 108.028 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.465 HD12 ' HA ' ' A' ' 15' ' ' LEU . 0.7 OUTLIER -56.38 -30.9 63.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -57.36 -32.74 67.07 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 110.296 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.563 HD12 ' O ' ' A' ' 14' ' ' TRP . 0.1 OUTLIER -109.01 102.55 14.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 27.4 mmtm -84.12 166.27 17.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.499 HG21 ' N ' ' A' ' 72' ' ' TYR . 65.1 t -89.33 137.91 20.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 109.28 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.496 ' HA ' ' C ' ' A' ' 21' ' ' PRO . 0.1 OUTLIER -92.58 155.72 41.83 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.48 1.113 . . . . 0.0 109.966 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.496 ' C ' ' HA ' ' A' ' 20' ' ' SER . 18.3 Cg_endo -74.97 174.46 52.56 Favored 'Cis proline' 0 C--N 1.361 1.197 0 C-N-CA 121.014 -2.494 . . . . 0.0 111.002 -0.023 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 4.05 5.06 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.517 1.798 . . . . 0.0 111.026 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.92 -25.28 63.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 110.318 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.01 -12.76 38.02 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.48 1.112 . . . . 0.0 111.003 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -40.79 -42.94 1.9 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 0.747 . . . . 0.0 109.287 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -76.16 -57.0 4.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 110.303 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.686 ' O ' HG12 ' A' ' 30' ' ' VAL . 17.5 m -46.84 -25.46 0.76 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.388 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.17 -23.01 1.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.095 . . . . 0.0 110.263 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 86.2 mtt-85 -74.42 -31.36 62.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 110.296 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.686 HG12 ' O ' ' A' ' 27' ' ' THR . 6.1 p -92.86 -14.49 8.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.449 1.093 . . . . 0.0 109.326 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.785 HG23 ' HB2' ' A' ' 73' ' ' TYR . 65.0 mt -87.24 -53.22 10.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.153 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -51.46 -32.34 26.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.287 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 36.6 tptt -60.06 -49.02 79.3 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.499 1.125 . . . . 0.0 109.29 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.943 ' CD1' HD21 ' A' ' 62' ' ' LEU . 0.6 OUTLIER -56.49 -54.24 48.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.452 ' CB ' HG22 ' A' ' 77' ' ' VAL . . . -59.56 -58.56 8.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.402 ' O ' ' HB3' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -49.84 -22.15 1.37 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 110.28 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.545 ' O ' HD12 ' A' ' 45' ' ' LEU . 23.3 t80 -94.47 -29.65 14.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 111.037 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.487 HG12 ' N ' ' A' ' 39' ' ' ALA . 5.5 t -85.73 -75.77 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.27 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.797 ' HB3' HD12 ' A' ' 80' ' ' ILE . . . -39.67 -29.91 0.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.536 1.147 . . . . 0.0 109.263 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.442 ' N ' ' C ' ' A' ' 38' ' ' VAL . 2.1 tt0 -65.07 -67.02 0.47 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 110.251 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -76.7 -69.48 1.39 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.489 1.118 . . . . 0.0 110.989 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 164.28 -147.27 12.5 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.459 ' O ' ' N ' ' A' ' 46' ' ' GLU . 18.3 Cg_endo -74.95 -40.44 0.92 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.478 1.778 . . . . 0.0 111.029 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -47.13 -30.66 2.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 110.294 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.55 ' N ' ' CD2' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -70.47 -36.68 74.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.268 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 43' ' ' PRO . 2.1 tm-20 -70.75 -26.84 63.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.328 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.562 ' N ' ' CD ' ' A' ' 47' ' ' LYS . 0.1 OUTLIER -81.16 -45.52 16.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.332 179.944 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 25.3 t -65.36 -48.57 82.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -48.61 -53.15 19.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.27 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 3.1 mtt -55.68 -18.09 7.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 110.972 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -96.41 -38.0 10.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 110.313 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -70.58 -38.29 74.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.333 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.473 ' CD2' ' CD1' ' A' ' 59' ' ' PHE . 8.7 m-30 -96.18 16.04 19.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.989 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.3 tttm -68.37 -10.29 54.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 109.318 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -108.22 -27.8 9.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 45.7 m-80 -82.88 120.44 76.25 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.461 1.101 . . . . 0.0 109.266 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.687 ' O ' HG22 ' A' ' 60' ' ' THR . 18.3 Cg_endo -75.07 -36.86 2.26 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.447 1.762 . . . . 0.0 110.988 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -50.38 -29.79 10.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.438 1.086 . . . . 0.0 109.316 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.618 ' CD1' ' CE2' ' A' ' 61' ' ' PHE . 0.8 OUTLIER -105.43 23.58 13.54 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.439 1.087 . . . . 0.0 110.996 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.687 HG22 ' O ' ' A' ' 57' ' ' PRO . 10.2 t -71.17 -12.82 61.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 110.423 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.733 ' HZ ' HD12 ' A' ' 34' ' ' LEU . 48.2 p90 -60.65 -34.69 74.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.98 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.943 HD21 ' CD1' ' A' ' 34' ' ' LEU . 32.3 mt -40.2 -55.2 2.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 109.256 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -80.85 58.63 3.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 109.582 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 178.14 116.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.474 ' HG3' ' CE1' ' A' ' 70' ' ' PHE . 0.0 OUTLIER -98.9 48.05 0.97 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 20.1 m-80 -174.09 36.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.556 ' O ' ' CB ' ' A' ' 68' ' ' ARG . 14.7 t -101.07 -5.43 25.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.021 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.556 ' CB ' ' O ' ' A' ' 67' ' ' SER . 1.1 ptt180 88.8 -22.09 0.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.309 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.433 ' N ' ' HG2' ' A' ' 68' ' ' ARG . 1.9 tt0 -89.52 -61.46 1.69 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 110.273 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.474 ' CE1' ' HG3' ' A' ' 65' ' ' LYS . 48.8 t80 -45.09 -34.02 2.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 111.021 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.624 ' N ' HD22 ' A' ' 71' ' ' LEU . 1.6 mm? -69.41 -50.35 46.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.442 1.089 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.646 ' HD2' HG21 ' A' ' 31' ' ' ILE . 77.3 t80 -60.51 -32.14 71.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 111.027 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.785 ' HB2' HG23 ' A' ' 31' ' ' ILE . 1.1 t80 -71.64 -46.15 59.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 110.991 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.79 -32.27 65.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 110.338 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.446 ' NH1' ' O ' ' A' ' 17' ' ' ILE . 67.8 mtt180 -71.97 -70.21 0.35 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 110.271 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.454 ' HD3' HD11 ' A' ' 15' ' ' LEU . 19.4 mmtt -44.64 -34.12 2.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.681 HG23 ' O ' ' A' ' 73' ' ' TYR . 2.4 t -49.68 -36.87 11.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.633 ' HB1' ' HA ' ' A' ' 11' ' ' TYR . . . -68.26 -31.88 71.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.572 1.17 . . . . 0.0 109.291 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.459 ' HB2' ' CD2' ' A' ' 15' ' ' LEU . 32.4 tp10 -71.56 -55.58 7.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 110.251 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.797 HD12 ' HB3' ' A' ' 39' ' ' ALA . 0.0 OUTLIER -64.2 -39.96 87.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.545 1.153 . . . . 0.0 109.268 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.452 ' HG2' ' CB ' ' A' ' 39' ' ' ALA . 4.4 mmm180 -43.55 -62.86 0.96 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 110.245 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.565 ' HG3' ' CE2' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -40.54 -77.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.474 ' CB ' ' O ' ' A' ' 82' ' ' LYS . 0.3 OUTLIER 84.05 86.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.981 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -147.59 90.65 0.15 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.496 1.122 . . . . 0.0 111.027 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 70.77 5.18 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.437 1.757 . . . . 0.0 111.031 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 58.75 108.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 110.004 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -145.48 167.61 22.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.976 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 O-C-N 124.469 1.106 . . . . 0.0 110.989 -179.973 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 64.23 85.73 0.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 0.766 . . . . 0.0 110.021 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 64.9 m 63.08 131.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 110.005 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 126.2 -78.04 0.38 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.488 1.118 . . . . 0.0 111.003 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 m -86.54 81.61 8.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 0.771 . . . . 0.0 109.975 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.9 p -84.11 132.68 34.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.979 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -137.4 149.87 20.49 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.488 1.117 . . . . 0.0 110.984 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.402 ' C ' ' N ' ' A' ' 10' ' ' ASP . 0.1 OUTLIER -174.31 -72.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 0.774 . . . . 0.0 110.303 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.43 ' HA ' ' CD2' ' A' ' 11' ' ' TYR . 8.3 tt0 -44.54 -26.59 0.38 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 110.267 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.457 ' O ' ' N ' ' A' ' 13' ' ' GLN . 2.1 m-20 -47.19 -25.83 1.01 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.525 ' C ' ' CD1' ' A' ' 11' ' ' TYR . 2.3 p90 -48.47 -25.31 1.6 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 111.022 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.403 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 6.5 pt-20 -94.82 -22.6 17.94 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.117 . . . . 0.0 110.298 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.457 ' N ' ' O ' ' A' ' 10' ' ' ASP . 0.1 OUTLIER -61.9 -13.06 21.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 110.321 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.861 ' O ' HD12 ' A' ' 17' ' ' ILE . 31.8 m95 -84.29 -49.12 9.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 107.997 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.515 HD22 ' HB2' ' A' ' 79' ' ' GLU . 0.4 OUTLIER -44.84 -26.79 0.44 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.095 . . . . 0.0 109.315 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.423 ' N ' ' C ' ' A' ' 14' ' ' TRP . 17.7 mt-10 -59.2 -37.66 77.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.29 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.861 HD12 ' O ' ' A' ' 14' ' ' TRP . 0.1 OUTLIER -112.99 96.18 4.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.406 ' HA ' ' NH2' ' A' ' 75' ' ' ARG . 6.4 mmtp -64.64 173.15 2.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.836 HG11 ' O ' ' A' ' 68' ' ' ARG . 60.7 t -87.39 139.97 16.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.14 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.495 ' HA ' ' C ' ' A' ' 21' ' ' PRO . 0.0 OUTLIER -109.0 157.64 36.42 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.987 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.495 ' C ' ' HA ' ' A' ' 20' ' ' SER . 18.1 Cg_endo -75.04 174.44 52.72 Favored 'Cis proline' 0 C--N 1.361 1.205 0 C-N-CA 121.002 -2.499 . . . . 0.0 110.961 0.069 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 4.25 4.9 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.497 1.788 . . . . 0.0 111.015 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -72.19 -22.23 61.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 110.339 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 25' ' ' ALA . . . -69.95 -12.97 68.95 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.45 1.094 . . . . 0.0 110.968 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 24' ' ' GLY . . . -40.21 -36.22 0.49 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 0.757 . . . . 0.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -55.57 -58.81 6.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.3 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.707 ' O ' HG12 ' A' ' 30' ' ' VAL . 31.5 m -73.46 -29.0 62.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 110.373 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.565 ' HG2' ' CE2' ' A' ' 72' ' ' TYR . 3.0 tmm_? -41.45 -27.93 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 110.304 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.42 ' N ' ' C ' ' A' ' 27' ' ' THR . 72.0 mtt180 -74.02 -52.78 11.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 110.267 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.707 HG12 ' O ' ' A' ' 27' ' ' THR . 9.5 p -60.71 -29.01 44.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.686 HG21 ' HD2' ' A' ' 72' ' ' TYR . 66.8 mt -70.91 -44.26 76.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.567 1.167 . . . . 0.0 109.268 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -45.47 -29.72 1.2 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 110.335 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -90.64 -33.39 15.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.762 HD22 ' HZ ' ' A' ' 61' ' ' PHE . 19.2 tp -66.36 -49.77 65.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.147 . . . . 0.0 109.278 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.62 -30.56 71.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 16.4 ttm180 -78.14 -68.24 0.65 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 110.267 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.495 ' CG ' HD12 ' A' ' 45' ' ' LEU . 4.4 t80 -45.72 -24.52 0.37 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 110.929 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.787 HG21 ' OH ' ' A' ' 73' ' ' TYR . 18.1 t -83.02 -75.68 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.261 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.91 ' HB3' HD12 ' A' ' 80' ' ' ILE . . . -45.86 -25.72 0.57 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.348 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.407 ' N ' ' C ' ' A' ' 38' ' ' VAL . 4.9 tp10 -67.97 -55.19 13.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.552 1.157 . . . . 0.0 110.288 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -92.1 -61.7 1.19 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.444 1.09 . . . . 0.0 110.986 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 38' ' ' VAL . . . 152.59 -145.92 13.98 Favored Glycine 0 CA--C 1.531 1.04 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -32.29 5.49 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.47 1.774 . . . . 0.0 111.016 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.594 ' O ' HG23 ' A' ' 48' ' ' VAL . 2.8 mt-10 -50.64 -33.25 21.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 110.29 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.574 ' N ' ' CD2' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -75.58 -44.0 45.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 51.1 tt0 -56.21 -38.7 71.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 0.0 110.3 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.3 mtmt -70.54 -58.89 3.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.594 HG23 ' O ' ' A' ' 44' ' ' GLU . 75.7 t -49.85 -42.66 18.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -47.7 -59.92 2.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.57 1.168 . . . . 0.0 109.333 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 9.5 mtt -47.59 -25.54 1.18 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 111.003 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -88.61 -36.96 16.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.307 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -64.37 -39.68 94.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 109.314 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.78 ' CD2' ' CE1' ' A' ' 59' ' ' PHE . 2.0 m-85 -109.89 26.09 11.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 111.006 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.12 -40.13 45.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.327 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 39.7 t0 -118.04 64.74 0.75 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -134.15 119.81 14.7 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 109.267 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.567 ' C ' HG23 ' A' ' 60' ' ' THR . 18.4 Cg_endo -75.0 -7.28 19.02 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.501 1.79 . . . . 0.0 111.033 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -95.63 -20.85 18.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 0.0 109.312 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.78 ' CE1' ' CD2' ' A' ' 53' ' ' TYR . 1.2 m-85 -106.07 26.67 9.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.424 1.078 . . . . 0.0 111.014 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.567 HG23 ' C ' ' A' ' 57' ' ' PRO . 66.8 p -69.25 -12.4 61.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 110.386 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.762 ' HZ ' HD22 ' A' ' 34' ' ' LEU . 43.4 p90 -70.04 -39.21 75.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 111.013 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.679 HD21 HD21 ' A' ' 34' ' ' LEU . 10.4 mt -39.61 -67.5 0.22 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.332 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 13.1 m-70 -47.07 -50.99 18.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 109.615 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -62.21 110.39 1.61 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.16 . . . . 0.0 109.338 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.586 ' HA ' ' CD2' ' A' ' 70' ' ' PHE . 4.5 mtmp? -107.26 33.08 4.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.326 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -175.51 52.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 83.5 p -118.23 -70.87 0.77 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.578 1.174 . . . . 0.0 110.035 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.836 ' O ' HG11 ' A' ' 19' ' ' VAL . 0.0 OUTLIER 174.94 -31.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 110.279 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.487 ' N ' ' HG2' ' A' ' 68' ' ' ARG . 0.6 OUTLIER -78.41 -52.45 8.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 110.342 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.586 ' CD2' ' HA ' ' A' ' 65' ' ' LYS . 82.8 t80 -59.46 -21.21 59.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 111.017 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.709 HD12 ' HA ' ' A' ' 68' ' ' ARG . 19.0 mt -75.2 -46.85 31.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.297 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.811 ' CA ' HG21 ' A' ' 19' ' ' VAL . 52.4 t80 -64.44 -46.56 82.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 111.027 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.787 ' OH ' HG21 ' A' ' 38' ' ' VAL . 5.3 t80 -47.56 -36.79 11.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 111.002 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 13.5 mmt180 -74.32 -31.4 62.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 110.295 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.459 ' NH2' ' O ' ' A' ' 17' ' ' ILE . 0.0 OUTLIER -68.27 -73.78 0.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.138 . . . . 0.0 110.298 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 79' ' ' GLU . 0.1 OUTLIER -37.17 -44.92 0.59 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.786 HG23 ' O ' ' A' ' 73' ' ' TYR . 2.9 t -40.28 -46.28 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . -55.65 -48.51 74.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.281 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.515 ' HB2' HD22 ' A' ' 15' ' ' LEU . 24.3 tp10 -55.98 -67.69 0.27 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.123 . . . . 0.0 110.304 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.91 HD12 ' HB3' ' A' ' 39' ' ' ALA . 0.0 OUTLIER -52.82 -39.82 32.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 109.31 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.46 ' HG2' ' HB1' ' A' ' 39' ' ' ALA . 9.7 mmm180 -50.06 -53.4 27.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.25 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.52 ' HG3' ' CZ ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -40.0 144.74 0.18 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.495 ' CB ' ' O ' ' A' ' 82' ' ' LYS . 0.3 OUTLIER 85.74 58.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.158 . . . . 0.0 109.989 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -103.93 -143.17 12.29 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.501 1.126 . . . . 0.0 111.006 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -179.16 4.72 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.498 1.788 . . . . 0.0 110.951 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -139.01 101.44 4.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.007 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 11.4 t -111.1 131.28 55.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.963 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 O-C-N 124.505 1.128 . . . . 0.0 111.01 179.99 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.3 m 56.65 106.7 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.537 0.787 . . . . 0.0 109.981 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 t 65.69 132.42 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 109.996 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -131.07 -58.7 0.09 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.518 1.136 . . . . 0.0 110.995 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -168.87 111.72 0.54 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 0.786 . . . . 0.0 110.038 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.5 m -73.22 145.18 46.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.025 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.84 -158.32 7.57 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.537 1.148 . . . . 0.0 110.99 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.402 ' C ' ' N ' ' A' ' 10' ' ' ASP . 2.0 mt-10 -129.26 -64.24 0.91 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 0.783 . . . . 0.0 110.269 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.474 ' HA ' ' CD2' ' A' ' 11' ' ' TYR . 0.2 OUTLIER -41.51 -28.15 0.12 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 110.324 179.946 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.481 ' CA ' ' HG2' ' A' ' 13' ' ' GLN . 61.5 m-20 -45.18 -26.75 0.52 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.566 ' CD2' ' HG3' ' A' ' 82' ' ' LYS . 4.6 p90 -50.43 -19.5 0.87 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 111.007 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -104.77 -21.64 13.32 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.488 1.117 . . . . 0.0 110.261 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.481 ' HG2' ' CA ' ' A' ' 10' ' ' ASP . 0.6 OUTLIER -65.48 -11.59 44.64 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.546 1.153 . . . . 0.0 110.301 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.668 ' O ' HD12 ' A' ' 17' ' ' ILE . 30.6 m95 -91.07 -26.9 18.93 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.964 -1.124 . . . . 0.0 107.964 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.515 HD13 ' HB2' ' A' ' 79' ' ' GLU . 1.4 tp -66.05 -42.63 89.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -44.66 -37.09 3.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 110.297 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.668 HD12 ' O ' ' A' ' 14' ' ' TRP . 0.4 OUTLIER -113.83 94.82 3.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.514 1.133 . . . . 0.0 109.3 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.514 ' HD2' ' CE1' ' A' ' 72' ' ' TYR . 23.5 mmtp -79.52 -172.03 3.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.498 HG11 ' N ' ' A' ' 72' ' ' TYR . 2.4 m -89.8 166.98 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.125 . . . . 0.0 109.305 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.522 ' HA ' ' C ' ' A' ' 21' ' ' PRO . 81.1 p -116.54 144.7 33.71 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.936 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.522 ' C ' ' HA ' ' A' ' 20' ' ' SER . 18.3 Cg_endo -75.0 174.44 52.7 Favored 'Cis proline' 0 C--N 1.36 1.161 0 C-N-CA 121.018 -2.493 . . . . 0.0 110.998 -0.023 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 3.83 5.28 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.484 1.781 . . . . 0.0 111.017 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -68.62 -25.9 65.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 110.299 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -52.82 -19.11 6.39 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.486 1.116 . . . . 0.0 111.039 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -50.4 -22.88 2.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 0.766 . . . . 0.0 109.309 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -78.37 -55.64 5.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.263 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.448 ' O ' ' N ' ' A' ' 30' ' ' VAL . 5.4 m -64.52 -14.53 57.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.403 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.1 tmm_? -45.91 -49.6 15.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.152 . . . . 0.0 110.346 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.1 mtm180 -56.46 -25.08 49.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 110.321 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.448 ' N ' ' O ' ' A' ' 27' ' ' THR . 72.2 t -95.41 -24.67 4.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 0.0 109.257 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.459 HD11 ' CG ' ' A' ' 69' ' ' GLU . 85.2 mt -80.08 -64.9 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.163 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 31' ' ' ILE . 3.7 mt-10 -37.17 -39.69 0.27 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.555 1.16 . . . . 0.0 110.304 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -46.58 -54.92 8.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 1.002 HD11 HD21 ' A' ' 62' ' ' LEU . 1.2 tt -53.75 -48.14 69.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.26 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.423 ' HB1' HG21 ' A' ' 80' ' ' ILE . . . -60.1 -60.02 4.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.48 ' O ' ' CG ' ' A' ' 40' ' ' GLU . 4.4 tpt180 -45.22 -33.6 2.4 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.451 1.094 . . . . 0.0 110.261 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 32.9 t80 -78.46 -49.32 13.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 0.0 110.982 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.427 HG22 ' N ' ' A' ' 46' ' ' GLU . 2.9 t -66.33 -69.12 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.917 ' HB3' HD12 ' A' ' 80' ' ' ILE . . . -40.39 -33.93 0.29 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.48 ' CG ' ' O ' ' A' ' 36' ' ' ARG . 1.7 mm-40 -57.88 -67.77 0.31 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.261 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -76.94 -67.25 1.69 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.482 1.114 . . . . 0.0 110.993 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 157.6 -143.61 9.69 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -33.75 4.36 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.48 1.779 . . . . 0.0 110.995 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.511 ' O ' HG23 ' A' ' 48' ' ' VAL . 4.7 tt0 -52.67 -29.53 26.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 110.279 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.519 ' N ' ' CD2' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -73.34 -59.49 2.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.369 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.427 ' N ' HG22 ' A' ' 38' ' ' VAL . 11.0 tm-20 -42.4 -38.09 1.77 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.132 . . . . 0.0 110.306 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -71.92 -63.19 1.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 44' ' ' GLU . 61.2 t -48.4 -48.55 13.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 0.0 109.274 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.629 ' HB1' ' CE2' ' A' ' 53' ' ' TYR . . . -44.31 -59.85 2.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.278 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 1.8 mtt -46.46 -23.97 0.45 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.979 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 48' ' ' VAL . 19.2 tp10 -94.82 -52.92 4.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.444 1.09 . . . . 0.0 110.268 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -55.67 -20.91 15.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.433 1.083 . . . . 0.0 109.315 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.629 ' CE2' ' HB1' ' A' ' 49' ' ' ALA . 5.1 m-30 -114.53 21.01 14.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 111.013 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 53' ' ' TYR . 3.5 tttt -38.6 -32.8 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 109.258 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.427 ' N ' ' C ' ' A' ' 53' ' ' TYR . 15.9 m-20 -115.31 80.94 1.5 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.264 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.653 ' O ' HG22 ' A' ' 60' ' ' THR . 1.1 p30 -106.63 121.3 45.58 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 109.263 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.61 ' O ' HG23 ' A' ' 60' ' ' THR . 18.3 Cg_endo -75.02 -61.86 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.49 1.784 . . . . 0.0 110.997 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -95.8 -16.98 21.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.511 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 0.2 OUTLIER -88.25 31.55 0.8 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 110.981 -179.958 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.653 HG22 ' O ' ' A' ' 56' ' ' ASN . 77.8 p -76.08 -12.39 60.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 110.458 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.511 ' CE1' ' HA ' ' A' ' 59' ' ' PHE . 49.6 p90 -63.79 -13.42 43.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 111.035 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 1.002 HD21 HD11 ' A' ' 34' ' ' LEU . 13.8 mt -64.93 -44.58 89.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.249 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.556 ' CE1' ' HB ' ' A' ' 60' ' ' THR . 12.7 p80 -91.07 35.72 0.91 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.147 . . . . 0.0 109.609 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -146.67 93.28 2.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.274 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.581 ' CD ' ' CZ ' ' A' ' 70' ' ' PHE . 14.1 mmtt -60.48 -85.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.35 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 25.3 p30 -70.82 70.83 0.5 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.406 ' O ' ' HB3' ' A' ' 68' ' ' ARG . 2.0 t -115.03 -83.5 0.62 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 109.991 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.444 ' O ' HG21 ' A' ' 19' ' ' VAL . 0.0 OUTLIER 173.51 -30.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 110.279 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.476 ' HB3' ' CG ' ' A' ' 61' ' ' PHE . 1.0 OUTLIER -92.73 -32.83 14.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 110.288 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.581 ' CZ ' ' CD ' ' A' ' 65' ' ' LYS . 58.1 t80 -68.07 -33.16 74.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.989 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.591 ' N ' HD22 ' A' ' 71' ' ' LEU . 2.0 mm? -69.59 -51.91 30.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.249 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.514 ' CE1' ' HD2' ' A' ' 18' ' ' LYS . 34.5 t80 -56.47 -38.92 72.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 110.986 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.944 ' O ' HG23 ' A' ' 77' ' ' VAL . 2.3 t80 -56.98 -26.85 60.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.142 . . . . 0.0 111.004 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 6.1 mtm180 -89.62 -34.42 16.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 110.263 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.499 ' O ' ' CD1' ' A' ' 15' ' ' LEU . 23.3 mmt180 -61.58 -32.66 72.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.291 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.516 ' O ' HG22 ' A' ' 80' ' ' ILE . 8.7 mmtt -86.88 -35.22 19.11 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.944 HG23 ' O ' ' A' ' 73' ' ' TYR . 2.6 t -47.06 -45.31 8.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -66.27 -30.84 71.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.542 1.151 . . . . 0.0 109.281 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.515 ' HB2' HD13 ' A' ' 15' ' ' LEU . 23.4 tp10 -73.01 -56.68 4.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 110.292 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.917 HD12 ' HB3' ' A' ' 39' ' ' ALA . 0.0 OUTLIER -63.81 -40.17 88.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.261 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.49 ' CG ' ' O ' ' A' ' 77' ' ' VAL . 1.8 mmm180 -47.16 -63.8 0.95 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.333 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.566 ' HG3' ' CD2' ' A' ' 11' ' ' TYR . 7.4 mmtt -68.43 150.89 47.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.33 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -156.43 75.0 0.85 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.019 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 53.89 -119.69 12.21 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.479 1.112 . . . . 0.0 111.002 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -177.79 3.72 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.448 1.762 . . . . 0.0 110.973 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.4 t -178.04 107.51 0.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.959 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 15.7 m -91.61 108.97 20.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.953 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.537 1.148 . . . . 0.0 110.968 -179.99 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -170.82 93.04 0.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 0.786 . . . . 0.0 109.956 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -165.17 128.76 2.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 0.0 110.028 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 128.23 -62.07 0.64 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.541 1.15 . . . . 0.0 111.017 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 61.34 75.73 0.4 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 0.748 . . . . 0.0 110.004 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.406 ' O ' ' N ' ' A' ' 8' ' ' GLU . 25.1 m -112.26 140.72 46.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 109.968 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -58.25 86.26 0.01 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.497 1.123 . . . . 0.0 110.994 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' A' ' 6' ' ' SER . 9.8 pt-20 -65.59 116.68 7.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.453 0.737 . . . . 0.0 110.296 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.414 ' HA ' ' CD2' ' A' ' 11' ' ' TYR . 5.8 mt-10 -49.8 -22.18 1.35 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.09 . . . . 0.0 110.261 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.453 ' O ' ' N ' ' A' ' 13' ' ' GLN . 0.7 OUTLIER -60.02 -15.66 24.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.574 ' CE1' ' HB2' ' A' ' 12' ' ' GLU . 4.2 p90 -47.98 -29.76 3.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 111.006 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.574 ' HB2' ' CE1' ' A' ' 11' ' ' TYR . 26.2 tt0 -91.08 -21.64 21.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 110.282 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.453 ' N ' ' O ' ' A' ' 10' ' ' ASP . 0.2 OUTLIER -60.01 -16.7 32.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 110.282 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 27.6 m95 -77.55 -27.69 51.61 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.645 HD11 ' HG3' ' A' ' 79' ' ' GLU . 12.8 mt -62.73 -28.16 69.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -58.96 -33.48 70.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 110.313 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.425 ' H ' HD12 ' A' ' 17' ' ' ILE . 0.2 OUTLIER -108.83 94.57 3.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.584 1.178 . . . . 0.0 109.283 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.3 mmtp -71.32 163.52 27.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.465 HG11 ' N ' ' A' ' 72' ' ' TYR . 1.2 m -89.61 165.67 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.322 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.524 ' HA ' ' C ' ' A' ' 21' ' ' PRO . 73.2 p -116.59 150.08 44.96 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.127 . . . . 0.0 109.993 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.524 ' C ' ' HA ' ' A' ' 20' ' ' SER . 18.2 Cg_endo -75.06 174.21 53.91 Favored 'Cis proline' 0 C--N 1.359 1.122 0 C-N-CA 120.971 -2.512 . . . . 0.0 110.978 0.039 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 4.46 4.73 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.538 1.809 . . . . 0.0 111.014 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -68.32 -38.68 81.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.28 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -47.09 -26.03 2.87 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.493 1.121 . . . . 0.0 111.011 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -41.5 -36.55 0.91 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 0.772 . . . . 0.0 109.293 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -71.6 -53.33 14.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.303 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.475 ' O ' ' N ' ' A' ' 30' ' ' VAL . 1.8 m -60.54 -14.3 19.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.422 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.429 ' HD2' ' N ' ' A' ' 29' ' ' ARG . 2.7 tmm_? -38.86 -57.61 1.21 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.163 . . . . 0.0 110.294 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.429 ' N ' ' HD2' ' A' ' 28' ' ' ARG . 12.7 mtp180 -48.59 -38.76 21.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.294 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.475 ' N ' ' O ' ' A' ' 27' ' ' THR . 89.2 t -78.48 -55.12 10.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.653 HG23 ' HB2' ' A' ' 73' ' ' TYR . 35.7 mt -48.64 -63.08 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.465 ' OE2' ' CB ' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -45.6 -31.17 1.74 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.097 . . . . 0.0 110.303 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.423 ' CB ' ' O ' ' A' ' 30' ' ' VAL . 14.6 tptt -59.11 -50.42 74.12 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.131 . . . . 0.0 109.272 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.637 HD13 ' HE2' ' A' ' 59' ' ' PHE . 38.2 tp -63.29 -47.68 81.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.38 -49.8 75.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.279 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.9 ttt-85 -63.09 -23.39 67.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.274 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.461 ' CZ ' ' CD1' ' A' ' 45' ' ' LEU . 20.4 t80 -87.03 -36.96 17.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.159 . . . . 0.0 110.982 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.551 HG21 ' OH ' ' A' ' 73' ' ' TYR . 9.4 t -73.45 -73.27 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.915 ' HB3' HD12 ' A' ' 80' ' ' ILE . . . -39.94 -31.05 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.433 ' N ' ' C ' ' A' ' 38' ' ' VAL . 0.6 OUTLIER -58.99 -67.74 0.34 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.163 . . . . 0.0 110.28 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.0 -50.09 5.69 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.505 1.128 . . . . 0.0 110.993 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 38' ' ' VAL . . . 136.2 -142.75 14.03 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -28.19 9.38 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.486 1.782 . . . . 0.0 111.01 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.593 ' O ' HG23 ' A' ' 48' ' ' VAL . 2.1 mt-10 -54.31 -32.8 57.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.282 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.555 ' N ' ' CD2' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -75.55 -42.69 51.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -59.25 -38.94 81.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 0.0 110.337 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 8.5 mtmm -69.85 -49.72 49.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.291 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.593 HG23 ' O ' ' A' ' 44' ' ' GLU . 72.9 t -61.81 -46.81 95.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.335 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -44.75 -56.34 4.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 109.268 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.428 ' HA ' HD23 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -45.14 -24.49 0.25 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 111.028 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' A' ' 48' ' ' VAL . 6.1 mt-10 -95.81 -50.82 4.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 110.277 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -47.1 -47.2 23.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.543 ' CD2' ' CD2' ' A' ' 59' ' ' PHE . 8.0 m-85 -104.96 29.81 6.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 110.987 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -46.78 -43.5 18.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.281 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -119.96 77.94 1.29 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.271 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.403 ' O ' HG22 ' A' ' 60' ' ' THR . 1.1 m120 -134.74 118.64 13.48 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.555 ' C ' HG23 ' A' ' 60' ' ' THR . 18.4 Cg_endo -75.03 -2.53 12.67 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.521 1.801 . . . . 0.0 110.994 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -99.34 -54.54 2.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 0.0 109.319 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.637 ' HE2' HD13 ' A' ' 34' ' ' LEU . 2.8 m-85 -84.68 34.54 0.54 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 111.017 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.555 HG23 ' C ' ' A' ' 57' ' ' PRO . 68.7 p -65.09 -11.33 38.57 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.507 1.13 . . . . 0.0 110.359 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.552 ' CE1' ' HA ' ' A' ' 59' ' ' PHE . 43.3 p90 -75.51 -20.54 58.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 111.011 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.48 HD11 HD21 ' A' ' 34' ' ' LEU . 0.4 OUTLIER -44.04 -71.2 0.08 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.42 ' O ' ' N ' ' A' ' 65' ' ' LYS . 4.4 m-70 -59.25 -74.95 0.06 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.497 1.123 . . . . 0.0 109.551 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 63' ' ' HIS . 0.5 OUTLIER -40.22 99.14 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 63' ' ' HIS . 0.3 OUTLIER -62.37 -48.07 81.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 109.346 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 32.9 m120 -75.87 59.32 1.23 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.097 . . . . 0.0 109.29 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 9.4 t -120.59 130.28 54.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 110.034 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.518 ' HA ' HD12 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -55.83 -24.11 34.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 110.291 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.511 ' HB3' ' CG ' ' A' ' 61' ' ' PHE . 0.7 OUTLIER -85.1 -28.92 25.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 110.315 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -83.07 -16.55 46.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 111.026 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.518 HD12 ' HA ' ' A' ' 68' ' ' ARG . 8.7 mt -82.19 -63.91 1.29 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.117 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.465 ' N ' HG11 ' A' ' 19' ' ' VAL . 30.3 t80 -53.09 -34.09 55.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 111.014 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.958 ' O ' HG23 ' A' ' 77' ' ' VAL . 0.9 OUTLIER -60.48 -30.75 69.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 110.999 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -92.65 -24.87 18.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.325 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -68.17 -40.32 82.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.347 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.465 ' CB ' ' OE2' ' A' ' 32' ' ' GLU . 0.0 OUTLIER -83.51 -24.78 31.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.327 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.958 HG23 ' O ' ' A' ' 73' ' ' TYR . 1.7 t -48.15 -36.97 6.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.319 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.38 -33.3 69.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 109.323 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.645 ' HG3' HD11 ' A' ' 15' ' ' LEU . 5.2 tm-20 -66.99 -51.99 48.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 110.274 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.915 HD12 ' HB3' ' A' ' 39' ' ' ALA . 0.0 OUTLIER -69.54 -36.11 69.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.278 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 10.4 mmm-85 -49.31 -53.51 21.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.299 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.72 136.36 1.41 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 109.344 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.8 t 68.18 54.17 0.59 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.015 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -83.97 158.36 34.81 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.529 1.143 . . . . 0.0 111.013 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 66.98 5.98 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.452 1.764 . . . . 0.0 111.057 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 39.53 82.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 110.009 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 80.5 p -172.09 132.1 0.66 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 0.0 110.047 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 O-C-N 124.507 1.129 . . . . 0.0 110.975 179.99 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 m -44.41 142.16 1.67 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 0.76 . . . . 0.0 109.996 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -117.92 -60.96 1.74 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 110.002 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 73.95 162.74 8.46 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.539 1.149 . . . . 0.0 110.998 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 m -95.2 87.31 4.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 0.782 . . . . 0.0 110.016 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -122.82 119.29 30.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.026 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.42 ' O ' ' N ' ' A' ' 9' ' ' GLU . . . 167.11 -91.9 0.1 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.491 1.119 . . . . 0.0 110.999 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 67.17 -72.67 0.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 0.748 . . . . 0.0 110.285 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.563 ' HA ' ' CD2' ' A' ' 11' ' ' TYR . 7.6 pt-20 -46.54 -24.45 0.53 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.465 1.103 . . . . 0.0 110.283 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 13' ' ' GLN . 1.3 m-20 -46.67 -25.29 0.69 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 109.333 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.583 ' CD2' ' HG3' ' A' ' 82' ' ' LYS . 4.1 p90 -48.67 -22.63 0.81 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 111.037 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.538 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -97.36 -22.5 16.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 110.309 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.451 ' N ' ' O ' ' A' ' 10' ' ' ASP . 1.1 pp0? -60.03 -15.9 26.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 0.0 110.32 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.404 ' HA ' ' CD1' ' A' ' 17' ' ' ILE . 26.8 m95 -76.62 -19.09 58.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 107.992 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.439 HD11 ' HD3' ' A' ' 76' ' ' LYS . 9.5 mt -72.74 -23.28 60.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -62.97 -32.26 73.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 110.283 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.632 ' H ' HD12 ' A' ' 17' ' ' ILE . 0.1 OUTLIER -113.39 94.47 3.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.147 . . . . 0.0 109.279 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.0 mmtm -61.52 164.1 6.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.666 HG21 ' CA ' ' A' ' 72' ' ' TYR . 55.9 t -87.0 128.6 39.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.511 ' HA ' ' C ' ' A' ' 21' ' ' PRO . 0.4 OUTLIER -88.95 148.39 41.08 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.496 1.123 . . . . 0.0 110.013 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.511 ' C ' ' HA ' ' A' ' 20' ' ' SER . 18.3 Cg_endo -75.05 174.55 52.15 Favored 'Cis proline' 0 C--N 1.36 1.143 0 C-N-CA 120.999 -2.5 . . . . 0.0 110.976 0.033 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 4.49 4.7 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.489 1.784 . . . . 0.0 110.983 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -68.3 -36.05 78.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.262 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 25' ' ' ALA . . . -64.3 -12.53 51.13 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.45 1.094 . . . . 0.0 110.996 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.495 ' O ' ' CG ' ' A' ' 28' ' ' ARG . . . -39.03 -75.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 0.769 . . . . 0.0 109.299 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -39.78 -54.49 2.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 110.283 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.535 HG21 ' CD ' ' A' ' 69' ' ' GLU . 7.1 m -42.67 -38.33 2.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 110.373 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.495 ' CG ' ' O ' ' A' ' 25' ' ' ALA . 0.0 OUTLIER -40.2 -28.49 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 110.308 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.437 ' N ' ' C ' ' A' ' 27' ' ' THR . 5.7 mtm180 -62.07 -47.48 84.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 110.301 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.461 ' N ' ' O ' ' A' ' 27' ' ' THR . 1.1 p -77.85 -37.37 23.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.463 ' CG2' ' HA ' ' A' ' 73' ' ' TYR . 11.9 mt -60.3 -56.94 14.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.136 . . . . 0.0 109.344 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -45.3 -28.28 0.79 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 110.277 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.2 tptt -75.55 -43.05 50.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 109.314 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 1.072 HD21 HD21 ' A' ' 62' ' ' LEU . 32.4 tp -70.82 -41.3 71.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 109.279 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.95 -46.28 85.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.433 ' NH1' ' OE2' ' A' ' 40' ' ' GLU . 18.0 ttt-85 -63.24 -59.95 4.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 110.304 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.565 ' CZ ' HD13 ' A' ' 45' ' ' LEU . 10.5 t80 -46.45 -45.68 18.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.981 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.457 HG11 ' OH ' ' A' ' 73' ' ' TYR . 6.7 t -66.92 -74.37 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.45 1.094 . . . . 0.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.947 ' HB3' HD12 ' A' ' 80' ' ' ILE . . . -38.74 -31.44 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.448 ' N ' ' C ' ' A' ' 38' ' ' VAL . 0.2 OUTLIER -61.22 -63.65 1.22 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 110.286 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -86.21 -69.7 1.33 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.482 1.114 . . . . 0.0 111.016 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 159.8 -141.5 7.53 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -29.1 8.6 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.448 1.762 . . . . 0.0 111.013 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.424 ' O ' HG23 ' A' ' 48' ' ' VAL . 30.5 tt0 -54.78 -32.15 59.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 110.329 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.565 HD13 ' CZ ' ' A' ' 37' ' ' PHE . 0.1 OUTLIER -76.63 -40.91 47.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.339 179.95 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.51 -43.55 84.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.088 . . . . 0.0 110.271 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 8.7 mttt -66.05 -52.76 46.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 0.0 109.327 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 44' ' ' GLU . 55.0 t -57.48 -36.71 54.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 109.343 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.402 ' CB ' HD11 ' A' ' 34' ' ' LEU . . . -55.05 -49.23 72.12 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.134 . . . . 0.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.474 ' HG2' ' CE1' ' A' ' 63' ' ' HIS . 6.5 mtt -57.65 -23.64 52.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 110.968 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -82.76 -47.86 11.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.292 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.94 -45.18 64.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.649 ' CD2' ' CD1' ' A' ' 59' ' ' PHE . 11.7 m-85 -103.67 24.34 11.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.972 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -41.15 -37.63 0.93 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.272 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -125.91 63.68 1.22 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.348 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.4 ' CB ' ' HB3' ' A' ' 53' ' ' TYR . 0.8 OUTLIER -135.25 120.83 14.02 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 0.0 109.286 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.634 ' O ' HG22 ' A' ' 60' ' ' THR . 18.2 Cg_endo -75.05 -18.67 18.42 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.452 1.764 . . . . 0.0 111.005 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -79.25 -41.93 27.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.331 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.649 ' CD1' ' CD2' ' A' ' 53' ' ' TYR . 0.7 OUTLIER -99.11 22.92 9.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.999 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.634 HG22 ' O ' ' A' ' 57' ' ' PRO . 5.1 t -69.87 -12.82 61.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.393 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.686 ' HZ ' HD22 ' A' ' 34' ' ' LEU . 48.4 p90 -62.3 -38.72 90.47 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 110.969 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 1.072 HD21 HD21 ' A' ' 34' ' ' LEU . 17.5 mt -40.41 -68.93 0.15 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.343 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.474 ' CE1' ' HG2' ' A' ' 50' ' ' MET . 14.4 m-70 -50.88 -74.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.589 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.63 97.13 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.436 1.085 . . . . 0.0 109.28 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 67' ' ' SER . 0.1 OUTLIER -65.09 -74.68 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.402 1.064 . . . . 0.0 109.294 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 16.6 m-80 -68.65 68.02 0.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 65' ' ' LYS . 0.9 OUTLIER -108.19 -72.29 0.73 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.521 1.138 . . . . 0.0 109.97 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.524 ' O ' HG11 ' A' ' 19' ' ' VAL . 0.5 OUTLIER 167.45 -32.04 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 110.298 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.535 ' CD ' HG21 ' A' ' 27' ' ' THR . 13.8 mt-10 -92.74 -37.35 12.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.291 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -54.65 -39.7 68.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 0.0 110.989 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.78 ' N ' HD13 ' A' ' 71' ' ' LEU . 0.1 OUTLIER -60.93 -43.55 98.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 109.282 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.666 ' CA ' HG21 ' A' ' 19' ' ' VAL . 76.0 t80 -65.17 -47.62 76.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 0.0 111.021 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.622 ' O ' HG23 ' A' ' 77' ' ' VAL . 1.3 t80 -42.28 -53.17 4.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 111.007 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -62.92 -33.88 76.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.293 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.444 ' HD2' ' CG2' ' A' ' 19' ' ' VAL . 0.0 OUTLIER -57.51 -75.81 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.324 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.473 ' O ' HG22 ' A' ' 80' ' ' ILE . 0.3 OUTLIER -51.77 -34.32 39.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.329 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.622 HG23 ' O ' ' A' ' 73' ' ' TYR . 1.4 t -47.08 -24.66 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.404 ' N ' ' C ' ' A' ' 76' ' ' LYS . . . -80.78 -41.83 22.74 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.46 ' OE1' ' CB ' ' A' ' 12' ' ' GLU . 12.1 tp10 -60.65 -46.37 90.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 110.278 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.947 HD12 ' HB3' ' A' ' 39' ' ' ALA . 0.0 OUTLIER -71.79 -38.23 64.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.411 ' CG ' ' O ' ' A' ' 77' ' ' VAL . 8.5 mmm-85 -47.3 -67.76 0.25 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.277 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.583 ' HG3' ' CD2' ' A' ' 11' ' ' TYR . 3.6 tmtt? -44.19 -54.92 5.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.556 1.16 . . . . 0.0 109.258 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 80' ' ' ILE . 0.4 OUTLIER -107.03 76.39 1.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.978 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -129.74 -103.46 1.05 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.465 1.103 . . . . 0.0 110.947 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -88.65 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.499 1.789 . . . . 0.0 111.017 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 172.75 161.63 0.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.427 1.08 . . . . 0.0 110.013 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 11.6 p -168.88 137.6 2.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 110.0 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.042 0 O-C-N 124.482 1.114 . . . . 0.0 110.982 -179.988 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 64.03 101.26 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 0.785 . . . . 0.0 109.992 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 t -177.55 -61.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.015 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.17 117.2 0.75 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.472 1.107 . . . . 0.0 111.006 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -178.37 85.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 0.75 . . . . 0.0 109.981 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.78 122.32 26.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.973 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.56 81.13 0.11 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.462 1.101 . . . . 0.0 110.992 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.5 pm0 -87.25 -19.93 27.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 0.76 . . . . 0.0 110.274 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.457 ' HA ' ' CD2' ' A' ' 11' ' ' TYR . 2.7 tt0 -65.99 -9.3 28.95 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.46 1.1 . . . . 0.0 110.313 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.428 ' O ' ' N ' ' A' ' 13' ' ' GLN . 8.7 m-20 -64.85 -12.25 46.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.582 ' CE1' ' HB3' ' A' ' 12' ' ' GLU . 4.6 p90 -50.1 -20.91 1.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 111.021 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.582 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 3.8 pt-20 -100.72 -19.43 16.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 110.296 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.478 ' O ' HD11 ' A' ' 17' ' ' ILE . 0.7 OUTLIER -64.01 -11.68 31.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.273 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.926 ' O ' HD12 ' A' ' 17' ' ' ILE . 31.4 m95 -84.19 -38.26 20.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 108.003 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.846 HD11 ' HD3' ' A' ' 76' ' ' LYS . 1.1 tp -57.09 -39.27 74.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -45.96 -32.18 2.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.355 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.926 HD12 ' O ' ' A' ' 14' ' ' TRP . 0.1 OUTLIER -113.2 94.65 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.341 179.95 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.89 162.33 16.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.586 HG21 ' CA ' ' A' ' 72' ' ' TYR . 26.4 t -87.1 158.3 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.561 1.163 . . . . 0.0 109.343 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.51 ' HA ' ' C ' ' A' ' 21' ' ' PRO . 0.0 OUTLIER -108.09 154.55 41.14 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 109.951 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.51 ' C ' ' HA ' ' A' ' 20' ' ' SER . 18.1 Cg_endo -75.03 174.42 52.78 Favored 'Cis proline' 0 C--N 1.36 1.159 0 C-N-CA 121.008 -2.497 . . . . 0.0 110.99 0.034 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 4.05 5.1 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.505 1.792 . . . . 0.0 111.0 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -75.1 -14.48 60.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 110.325 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 25' ' ' ALA . . . -85.7 -12.63 71.67 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.454 1.096 . . . . 0.0 110.975 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.418 ' O ' ' CG ' ' A' ' 28' ' ' ARG . . . -39.93 -62.57 0.7 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 0.758 . . . . 0.0 109.323 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -59.06 -50.21 74.93 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.552 1.158 . . . . 0.0 110.293 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.509 ' O ' HG12 ' A' ' 30' ' ' VAL . 24.9 m -41.77 -31.01 0.27 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 110.433 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.418 ' CG ' ' O ' ' A' ' 25' ' ' ALA . 0.2 OUTLIER -42.6 -26.58 0.13 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.14 . . . . 0.0 110.289 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.415 ' N ' ' C ' ' A' ' 27' ' ' THR . 1.1 mtm-85 -64.05 -40.83 97.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.278 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.553 HG22 ' HE1' ' A' ' 59' ' ' PHE . 2.1 p -83.79 -32.95 9.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.449 HD12 ' CD2' ' A' ' 72' ' ' TYR . 9.6 mt -67.42 -57.76 8.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.141 . . . . 0.0 109.311 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 31' ' ' ILE . 15.5 mt-10 -36.1 -35.68 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 0.0 110.332 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.409 ' N ' ' O ' ' A' ' 31' ' ' ILE . 3.8 tptp -49.2 -54.11 18.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.287 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 1.113 ' CD1' HD11 ' A' ' 62' ' ' LEU . 0.5 OUTLIER -64.54 -43.57 93.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.284 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.998 ' HA ' HG12 ' A' ' 77' ' ' VAL . . . -52.33 -45.73 65.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 8.6 ttt180 -71.12 -60.75 2.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.15 . . . . 0.0 110.306 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.636 ' CZ ' HD13 ' A' ' 45' ' ' LEU . 22.6 t80 -44.47 -48.92 10.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 110.955 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 1.009 HG21 ' OH ' ' A' ' 73' ' ' TYR . 42.2 t -60.34 -75.88 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.622 ' HB3' HD12 ' A' ' 80' ' ' ILE . . . -40.96 -39.67 1.22 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -50.04 -67.11 0.29 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.306 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -85.64 -61.74 1.67 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.532 1.145 . . . . 0.0 111.03 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 38' ' ' VAL . . . 149.79 -139.44 7.39 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -33.47 4.55 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.51 1.795 . . . . 0.0 110.986 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.547 ' O ' HG23 ' A' ' 48' ' ' VAL . 0.2 OUTLIER -53.97 -30.54 47.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.353 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.636 HD13 ' CZ ' ' A' ' 37' ' ' PHE . 0.1 OUTLIER -72.92 -54.61 8.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.138 . . . . 0.0 109.281 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -49.09 -25.99 2.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 110.299 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.82 -50.94 7.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.547 HG23 ' O ' ' A' ' 44' ' ' GLU . 72.5 t -61.41 -33.41 56.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.341 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.448 ' O ' ' CD2' ' A' ' 53' ' ' TYR . . . -55.39 -46.18 76.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.138 . . . . 0.0 109.305 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 12.8 mtt -63.84 -15.89 59.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.547 1.154 . . . . 0.0 111.035 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -89.04 -44.67 10.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.132 . . . . 0.0 110.311 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.04 -38.67 88.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.448 ' CD2' ' O ' ' A' ' 49' ' ' ALA . 20.5 m-85 -102.99 18.03 22.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 111.039 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.81 -27.68 5.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -130.44 62.33 1.59 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -134.49 119.19 14.0 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.71 ' O ' HG22 ' A' ' 60' ' ' THR . 18.2 Cg_endo -74.97 -25.01 12.34 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.555 1.818 . . . . 0.0 110.981 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -75.14 -47.22 29.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.611 ' HA ' ' CE2' ' A' ' 61' ' ' PHE . 0.2 OUTLIER -96.54 22.31 8.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 110.992 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.71 HG22 ' O ' ' A' ' 57' ' ' PRO . 4.9 t -66.58 -11.7 54.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.1 . . . . 0.0 110.427 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.698 ' CE1' ' CD1' ' A' ' 62' ' ' LEU . 44.1 p90 -64.89 -14.49 59.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 111.027 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 1.113 HD11 ' CD1' ' A' ' 34' ' ' LEU . 0.4 OUTLIER -58.86 -60.07 4.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -73.36 65.72 0.89 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.632 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.426 ' O ' ' CG ' ' A' ' 70' ' ' PHE . 0.5 OUTLIER -174.18 112.66 0.17 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.305 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.549 ' HG3' ' CE2' ' A' ' 70' ' ' PHE . 0.0 OUTLIER -104.94 46.14 0.93 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 109.254 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 171.4 42.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.267 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.405 ' O ' ' HB3' ' A' ' 68' ' ' ARG . 30.2 t -100.39 -82.21 0.46 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.985 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.452 ' HG2' ' N ' ' A' ' 69' ' ' GLU . 0.6 OUTLIER 175.96 -30.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.157 . . . . 0.0 110.272 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.452 ' N ' ' HG2' ' A' ' 68' ' ' ARG . 0.3 OUTLIER -91.29 -36.77 13.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 110.281 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.549 ' CE2' ' HG3' ' A' ' 65' ' ' LYS . 73.8 t80 -69.42 -24.41 63.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.132 . . . . 0.0 111.007 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.405 ' O ' ' HG2' ' A' ' 75' ' ' ARG . 43.7 mt -73.05 -59.44 2.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.244 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.586 ' CA ' HG21 ' A' ' 19' ' ' VAL . 83.5 t80 -55.05 -35.68 64.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.463 1.102 . . . . 0.0 111.002 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 1.029 ' O ' HG13 ' A' ' 77' ' ' VAL . 1.9 t80 -52.26 -57.18 10.49 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.454 1.097 . . . . 0.0 110.981 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.401 ' O ' HG22 ' A' ' 77' ' ' VAL . 2.2 mmm180 -65.57 -15.37 62.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 110.332 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.493 ' O ' ' CD1' ' A' ' 15' ' ' LEU . 1.7 mmt85 -86.27 -22.25 26.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.332 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.846 ' HD3' HD11 ' A' ' 15' ' ' LEU . 0.4 OUTLIER -93.92 -39.69 10.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 1.029 HG13 ' O ' ' A' ' 73' ' ' TYR . 3.5 m -51.24 -46.57 33.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.103 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.406 ' N ' ' CG2' ' A' ' 77' ' ' VAL . . . -53.21 -45.49 68.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.34 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.469 ' HB2' HD22 ' A' ' 15' ' ' LEU . 11.9 tp10 -57.62 -65.92 0.55 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.498 1.123 . . . . 0.0 110.308 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.622 HD12 ' HB3' ' A' ' 39' ' ' ALA . 0.0 OUTLIER -56.74 -41.15 74.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 109.347 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.537 ' HG2' ' HB2' ' A' ' 39' ' ' ALA . 3.5 mmm180 -44.17 -68.59 0.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.31 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.581 ' HB3' ' CE2' ' A' ' 11' ' ' TYR . 1.3 mmtt -61.87 140.62 58.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.571 1.17 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -109.01 -44.74 3.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 109.951 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 146.09 -78.65 0.24 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.501 1.126 . . . . 0.0 110.997 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -88.6 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.504 1.791 . . . . 0.0 111.002 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 176.65 123.51 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 110.031 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 6.2 t -90.61 108.76 20.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.569 1.168 . . . . 0.0 110.0 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.52 1.137 . . . . 0.0 111.027 -179.991 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -116.37 147.37 41.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 0.787 . . . . 0.0 109.973 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.6 t -39.69 146.69 0.1 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.467 1.104 . . . . 0.0 110.037 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 47.65 -153.76 1.48 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.432 1.082 . . . . 0.0 110.988 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -119.1 117.38 28.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 0.738 . . . . 0.0 109.961 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.9 p -120.17 88.25 2.9 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.446 1.091 . . . . 0.0 110.01 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -93.14 113.98 4.58 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.504 1.127 . . . . 0.0 110.972 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -138.36 -81.83 0.32 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 0.733 . . . . 0.0 110.308 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -86.36 -11.3 52.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 110.287 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.434 ' O ' ' N ' ' A' ' 13' ' ' GLN . 47.6 m-20 -60.21 -16.45 33.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.584 ' C ' ' CD1' ' A' ' 11' ' ' TYR . 1.1 p90 -48.16 -25.51 1.51 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.1 . . . . 0.0 111.023 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.576 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 1.0 OUTLIER -96.26 -22.8 17.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.125 . . . . 0.0 110.304 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.434 ' N ' ' O ' ' A' ' 10' ' ' ASP . 0.1 OUTLIER -58.54 -19.58 38.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 110.286 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 24.7 m95 -73.95 -37.1 64.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 107.972 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.461 HD11 ' HG2' ' A' ' 79' ' ' GLU . 5.6 mt -55.12 -22.8 18.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -63.04 -42.72 99.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 0.0 110.327 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.589 ' H ' HD12 ' A' ' 17' ' ' ILE . 0.1 OUTLIER -102.29 94.56 3.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.454 1.096 . . . . 0.0 109.279 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.85 160.23 31.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 0.0 109.307 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.651 HG11 ' N ' ' A' ' 72' ' ' TYR . 0.9 OUTLIER -87.27 157.02 3.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.33 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.516 ' HA ' ' C ' ' A' ' 21' ' ' PRO . 5.3 p -111.1 153.51 43.88 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 110.015 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.516 ' C ' ' HA ' ' A' ' 20' ' ' SER . 18.4 Cg_endo -74.95 174.35 53.09 Favored 'Cis proline' 0 C--N 1.36 1.159 0 C-N-CA 120.999 -2.501 . . . . 0.0 111.021 -0.034 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 4.38 4.79 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.467 1.772 . . . . 0.0 111.065 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -68.69 -43.04 76.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.277 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -56.61 -18.39 23.52 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.496 1.123 . . . . 0.0 111.019 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.5 ' O ' ' CG ' ' A' ' 28' ' ' ARG . . . -45.9 -49.2 15.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 0.746 . . . . 0.0 109.304 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -68.05 -41.34 82.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 110.308 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 94.3 m -60.6 -14.84 22.63 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.51 1.131 . . . . 0.0 110.424 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.501 ' CZ ' ' OE2' ' A' ' 32' ' ' GLU . 0.0 OUTLIER -46.76 -36.65 7.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 110.244 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 9.0 mtm180 -55.51 -27.6 49.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.566 1.166 . . . . 0.0 110.338 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.484 ' CG1' ' CE2' ' A' ' 59' ' ' PHE . 99.6 t -95.27 -27.82 4.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.782 HG23 ' HB2' ' A' ' 73' ' ' TYR . 59.4 mt -74.79 -56.56 8.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.438 1.086 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.501 ' OE2' ' CZ ' ' A' ' 28' ' ' ARG . 82.0 mt-10 -41.07 -38.85 1.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 110.323 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.8 mmtm -60.65 -47.49 86.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 0.0 109.317 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 1.015 ' CD1' HD21 ' A' ' 62' ' ' LEU . 0.2 OUTLIER -63.32 -50.99 67.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.93 -40.21 88.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.3 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.401 ' O ' ' N ' ' A' ' 40' ' ' GLU . 33.5 ttt180 -65.05 -68.07 0.39 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 0.0 110.32 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.65 ' CE2' HD13 ' A' ' 45' ' ' LEU . 25.7 t80 -44.83 -43.73 8.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 111.003 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.522 HG21 ' OH ' ' A' ' 73' ' ' TYR . 23.8 t -61.89 -76.33 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.918 ' HB3' HD12 ' A' ' 80' ' ' ILE . . . -45.42 -26.68 0.58 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.332 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.422 ' N ' ' C ' ' A' ' 38' ' ' VAL . 0.5 OUTLIER -64.49 -62.61 1.49 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 110.32 179.954 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -83.84 -60.52 1.95 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.562 1.164 . . . . 0.0 111.028 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 153.09 -142.7 9.49 Favored Glycine 0 CA--C 1.529 0.952 0 N-CA-C 111.024 -0.831 . . . . 0.0 111.024 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.454 ' O ' ' N ' ' A' ' 46' ' ' GLU . 18.4 Cg_endo -75.01 -46.96 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.477 1.777 . . . . 0.0 110.99 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -42.62 -31.53 0.47 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.284 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.65 HD13 ' CE2' ' A' ' 37' ' ' PHE . 0.1 OUTLIER -68.05 -46.83 70.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 43' ' ' PRO . 2.6 tm-20 -60.33 -31.62 70.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 110.312 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.559 ' N ' ' CD ' ' A' ' 47' ' ' LYS . 0.1 OUTLIER -74.56 -36.58 63.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 109.349 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 23.7 t -77.43 -38.04 25.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -53.3 -43.74 67.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.11 . . . . 0.0 109.297 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 24.1 mtt -68.26 -12.46 61.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 111.002 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -98.26 -40.19 8.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 110.297 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.418 ' HB3' ' CE1' ' A' ' 53' ' ' TYR . 1.9 m-20 -62.58 -42.0 99.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.328 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.495 ' CD2' ' CD1' ' A' ' 59' ' ' PHE . 1.9 m-85 -108.95 31.13 5.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 110.976 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.91 -52.01 52.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -103.13 65.91 0.88 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.32 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.403 ' O ' ' HB ' ' A' ' 60' ' ' THR . 0.6 OUTLIER -135.11 120.07 13.78 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.297 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -11.34 21.44 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.494 1.786 . . . . 0.0 110.973 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -91.81 -42.56 10.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.283 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.635 ' CD1' ' CE2' ' A' ' 61' ' ' PHE . 1.3 m-85 -99.41 20.95 12.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.14 . . . . 0.0 111.015 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.403 ' HB ' ' O ' ' A' ' 56' ' ' ASN . 2.3 t -66.83 -12.64 59.79 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 110.404 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.763 ' HZ ' HD12 ' A' ' 34' ' ' LEU . 46.4 p90 -64.19 -34.28 77.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.427 1.079 . . . . 0.0 110.978 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 1.015 HD21 ' CD1' ' A' ' 34' ' ' LEU . 35.5 mt -44.12 -54.3 5.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.338 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -73.62 58.3 0.59 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 109.567 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.4 t0 171.88 115.13 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.127 . . . . 0.0 109.317 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.565 ' HD2' ' CZ ' ' A' ' 70' ' ' PHE . 8.3 mmtp -68.03 -71.24 0.22 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 54.3 m-80 -79.61 72.63 6.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.32 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -108.32 -74.58 0.65 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.02 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.454 ' HA ' ' CD2' ' A' ' 71' ' ' LEU . 10.7 ptm180 170.74 -35.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 110.323 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.472 ' HG2' ' CD1' ' A' ' 31' ' ' ILE . 1.5 mt-10 -94.67 -32.38 13.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 110.335 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.565 ' CZ ' ' HD2' ' A' ' 65' ' ' LYS . 66.9 t80 -61.99 -36.89 82.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 110.997 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.812 ' N ' HD13 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -63.51 -61.87 2.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 109.278 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.664 ' HD2' HG21 ' A' ' 31' ' ' ILE . 82.9 t80 -54.04 -29.27 43.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 111.0 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.782 ' HB2' HG23 ' A' ' 31' ' ' ILE . 0.8 OUTLIER -78.9 -16.2 57.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 0.0 110.968 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.6 mmm180 -93.35 -38.6 11.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.29 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.5 ' NH1' HG13 ' A' ' 19' ' ' VAL . 0.1 OUTLIER -67.75 -42.41 81.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 110.338 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.49 ' O ' HG22 ' A' ' 80' ' ' ILE . 0.0 OUTLIER -74.11 -32.51 63.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.341 179.941 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.669 HG23 ' O ' ' A' ' 73' ' ' TYR . 0.9 OUTLIER -49.38 -23.56 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.118 . . . . 0.0 109.281 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -86.49 -34.13 20.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' A' ' 76' ' ' LYS . 22.4 tp10 -67.3 -39.82 85.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 110.282 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.918 HD12 ' HB3' ' A' ' 39' ' ' ALA . 0.0 OUTLIER -78.42 -40.09 24.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.411 ' O ' ' C ' ' A' ' 82' ' ' LYS . 3.1 mmm180 -42.65 -60.27 1.61 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 110.328 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.426 ' HG2' ' N ' ' A' ' 83' ' ' SER . 0.0 OUTLIER -39.86 146.93 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.426 ' N ' ' HG2' ' A' ' 82' ' ' LYS . 13.9 t 174.87 81.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 110.03 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 83' ' ' SER . . . -37.48 98.89 0.01 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.478 1.111 . . . . 0.0 110.961 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 55.7 4.0 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.487 1.782 . . . . 0.0 111.028 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 40.74 81.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.145 . . . . 0.0 110.003 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 14.7 m -135.25 -66.8 0.56 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.997 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.478 1.111 . . . . 0.0 110.993 -179.994 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -175.58 159.86 2.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 0.771 . . . . 0.0 109.984 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -170.33 95.57 0.24 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 109.974 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 81.85 134.26 1.79 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.502 1.126 . . . . 0.0 111.015 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.9 t -91.89 -54.22 3.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 0.744 . . . . 0.0 109.981 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -91.24 130.17 37.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.439 1.087 . . . . 0.0 109.999 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -124.07 75.6 0.38 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.522 1.139 . . . . 0.0 111.037 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.433 ' C ' ' N ' ' A' ' 10' ' ' ASP . 0.9 OUTLIER -108.36 -72.34 0.73 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 0.777 . . . . 0.0 110.29 -179.942 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.444 ' O ' ' CG ' ' A' ' 12' ' ' GLU . 3.2 mt-10 -40.01 -29.16 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 110.32 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 13' ' ' GLN . 0.7 OUTLIER -44.18 -35.75 2.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.303 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.595 ' C ' ' CD1' ' A' ' 11' ' ' TYR . 0.7 OUTLIER -49.22 -24.69 1.86 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 111.017 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.444 ' CG ' ' O ' ' A' ' 9' ' ' GLU . 0.0 OUTLIER -95.48 -21.34 18.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.291 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.539 ' O ' ' NE2' ' A' ' 13' ' ' GLN . 0.0 OUTLIER -63.88 -11.62 29.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.132 . . . . 0.0 110.316 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 39.1 m95 -88.51 -30.29 19.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.127 . . . . 0.0 107.988 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.731 HD11 ' HD3' ' A' ' 76' ' ' LYS . 1.0 OUTLIER -56.38 -39.6 73.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.329 179.944 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -60.78 -19.35 59.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 110.278 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.426 ' HB ' ' NH1' ' A' ' 75' ' ' ARG . 0.8 OUTLIER -109.32 94.58 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.53 156.1 25.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.607 HG21 ' CA ' ' A' ' 72' ' ' TYR . 21.8 t -88.46 130.69 37.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.493 ' HA ' ' C ' ' A' ' 21' ' ' PRO . 0.0 OUTLIER -93.21 156.66 39.95 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.955 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.493 ' C ' ' HA ' ' A' ' 20' ' ' SER . 18.3 Cg_endo -74.98 174.31 53.33 Favored 'Cis proline' 0 C--N 1.361 1.193 0 C-N-CA 120.972 -2.512 . . . . 0.0 111.043 -0.043 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 4.45 4.72 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.486 1.782 . . . . 0.0 111.003 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -71.07 -24.26 62.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 110.321 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -71.07 -12.62 71.93 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.479 1.112 . . . . 0.0 111.05 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.405 ' O ' ' CG ' ' A' ' 28' ' ' ARG . . . -57.8 -19.61 29.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 0.773 . . . . 0.0 109.356 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -78.3 -40.21 37.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.327 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.564 HG22 HG13 ' A' ' 31' ' ' ILE . 63.6 m -83.08 -14.92 52.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.413 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.405 ' CG ' ' O ' ' A' ' 25' ' ' ALA . 0.4 OUTLIER -50.42 -22.88 2.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 0.0 110.29 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.6 mtp180 -76.72 -27.12 55.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.317 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.421 ' N ' ' O ' ' A' ' 27' ' ' THR . 64.8 t -95.16 -26.36 4.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 0.0 109.281 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.564 HG13 HG22 ' A' ' 27' ' ' THR . 20.8 mt -69.9 -54.67 17.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -40.3 -35.32 0.4 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 110.318 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.4 tptp -58.54 -49.82 76.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 109.326 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.568 HD11 HD11 ' A' ' 62' ' ' LEU . 0.6 OUTLIER -54.78 -50.62 68.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.97 -54.87 42.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.293 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.465 ' O ' ' CB ' ' A' ' 40' ' ' GLU . 16.4 ttt180 -59.15 -16.45 20.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 110.259 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.604 ' O ' HD12 ' A' ' 45' ' ' LEU . 11.8 t80 -95.17 -25.56 16.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 110.981 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.535 HG21 ' OH ' ' A' ' 73' ' ' TYR . 23.7 t -94.55 -76.61 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.764 ' HB3' HD12 ' A' ' 80' ' ' ILE . . . -39.83 -29.44 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.465 ' CB ' ' O ' ' A' ' 36' ' ' ARG . 4.7 tp10 -66.24 -67.84 0.42 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 110.295 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -77.4 -64.22 2.12 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.503 1.127 . . . . 0.0 111.001 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 154.07 -145.75 13.32 Favored Glycine 0 CA--C 1.53 0.986 0 N-CA-C 110.976 -0.849 . . . . 0.0 110.976 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -29.54 8.15 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.451 1.763 . . . . 0.0 110.99 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.702 ' O ' HG23 ' A' ' 48' ' ' VAL . 0.7 OUTLIER -53.64 -31.0 45.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 0.0 110.311 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.604 HD12 ' O ' ' A' ' 37' ' ' PHE . 0.1 OUTLIER -77.16 -37.39 53.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -66.48 -22.1 66.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 110.287 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.6 mttt -92.76 -40.87 10.44 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.702 HG23 ' O ' ' A' ' 44' ' ' GLU . 93.9 t -73.76 -30.44 28.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.426 ' CB ' ' O ' ' A' ' 45' ' ' LEU . . . -63.26 -46.72 85.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 109.339 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 1.8 mtt -56.36 -20.12 17.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 110.993 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -98.16 -24.99 15.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 110.309 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.419 ' HB3' ' CE1' ' A' ' 53' ' ' TYR . 2.5 t0 -75.69 -35.89 60.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.647 ' CD2' ' CD2' ' A' ' 59' ' ' PHE . 1.9 m-85 -113.3 25.58 11.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 110.972 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 16.8 tttt -46.98 -48.11 21.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.322 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -113.21 79.41 1.23 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 0.0 109.262 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.521 ' O ' HG22 ' A' ' 60' ' ' THR . 1.4 t-20 -133.21 119.77 15.71 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.29 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.543 ' C ' HG23 ' A' ' 60' ' ' THR . 18.2 Cg_endo -74.98 -14.25 21.24 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.506 1.793 . . . . 0.0 111.0 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -98.39 -42.43 7.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 109.315 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.647 ' CD2' ' CD2' ' A' ' 53' ' ' TYR . 0.2 OUTLIER -87.44 34.39 0.7 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.477 1.11 . . . . 0.0 110.992 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.543 HG23 ' C ' ' A' ' 57' ' ' PRO . 64.4 p -71.86 -16.4 62.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 110.405 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.516 ' CZ ' HD12 ' A' ' 34' ' ' LEU . 41.1 p90 -65.24 -17.94 64.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.999 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.568 HD11 HD11 ' A' ' 34' ' ' LEU . 0.9 OUTLIER -50.96 -71.21 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 4.6 m80 -43.83 -68.12 0.22 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 109.604 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -39.86 127.67 2.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.245 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.599 ' HA ' ' CD2' ' A' ' 70' ' ' PHE . 6.7 mttt -121.51 39.03 3.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.334 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.589 ' HA ' HD21 ' A' ' 71' ' ' LEU . 0.9 OUTLIER 172.46 50.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 109.282 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.431 ' O ' ' HB3' ' A' ' 68' ' ' ARG . 1.3 t -106.31 -72.28 0.72 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.981 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.498 ' HG2' ' N ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER 173.41 -30.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 110.304 -179.941 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.498 ' N ' ' HG2' ' A' ' 68' ' ' ARG . 1.2 mp0 -88.66 -38.98 14.37 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.466 1.104 . . . . 0.0 110.295 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.599 ' CD2' ' HA ' ' A' ' 65' ' ' LYS . 93.1 t80 -64.32 -41.01 97.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 111.004 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.692 HD22 ' H ' ' A' ' 71' ' ' LEU . 1.7 mm? -67.63 -40.81 84.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.607 ' CA ' HG21 ' A' ' 19' ' ' VAL . 78.3 t80 -62.89 -37.53 87.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 110.955 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.666 ' O ' HG23 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -60.71 -20.0 60.09 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.966 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 7.4 mtm180 -92.92 -12.98 29.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.309 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.426 ' NH1' ' HB ' ' A' ' 17' ' ' ILE . 25.9 mmt180 -78.19 -75.87 0.21 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.557 1.161 . . . . 0.0 110.338 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.731 ' HD3' HD11 ' A' ' 15' ' ' LEU . 0.4 OUTLIER -46.82 -32.53 3.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.283 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.666 HG23 ' O ' ' A' ' 73' ' ' TYR . 1.2 t -44.66 -53.77 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.138 . . . . 0.0 109.293 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -52.47 -34.09 47.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 76' ' ' LYS . 1.4 tm-20 -66.31 -62.74 1.31 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 110.28 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.764 HD12 ' HB3' ' A' ' 39' ' ' ALA . 0.0 OUTLIER -59.04 -34.19 52.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.309 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.421 ' HG2' ' CB ' ' A' ' 39' ' ' ALA . 9.2 mmm180 -49.27 -61.35 2.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.487 1.117 . . . . 0.0 110.276 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.504 ' C ' ' CD ' ' A' ' 82' ' ' LYS . 0.1 OUTLIER -40.12 154.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.421 ' N ' ' HG2' ' A' ' 82' ' ' LYS . 8.4 t -153.61 105.7 2.84 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.493 1.12 . . . . 0.0 109.994 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -87.8 -116.78 1.23 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.461 1.101 . . . . 0.0 110.977 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -83.44 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.49 1.784 . . . . 0.0 111.014 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 174.73 115.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.007 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 9.3 p 67.93 108.32 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 110.006 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 O-C-N 124.498 1.124 . . . . 0.0 111.011 -179.962 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -163.74 -57.99 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 0.783 . . . . 0.0 109.977 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -93.19 146.25 23.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 110.011 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 135.66 -107.29 0.62 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.477 1.11 . . . . 0.0 111.005 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 m -54.92 170.43 0.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 0.767 . . . . 0.0 109.969 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.4 m -67.41 124.19 22.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.96 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -153.95 -62.05 0.01 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.448 1.093 . . . . 0.0 110.997 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 39.9 37.28 0.34 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 0.798 . . . . 0.0 110.291 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.453 ' HA ' ' CD2' ' A' ' 11' ' ' TYR . 0.4 OUTLIER -43.75 -26.56 0.26 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.272 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.425 ' O ' ' N ' ' A' ' 13' ' ' GLN . 12.0 m-20 -48.84 -24.01 1.29 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.449 1.093 . . . . 0.0 109.289 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.573 ' CE2' ' HG3' ' A' ' 82' ' ' LYS . 2.8 p90 -50.43 -23.55 2.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 110.972 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.524 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 0.4 OUTLIER -95.54 -19.32 19.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 110.343 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.425 ' N ' ' O ' ' A' ' 10' ' ' ASP . 0.2 OUTLIER -63.8 -12.47 35.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 110.263 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.475 ' HA ' ' CD1' ' A' ' 17' ' ' ILE . 32.6 m95 -82.38 -11.38 58.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 0.0 108.035 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.538 ' CD2' ' HG2' ' A' ' 76' ' ' LYS . 40.0 mt -75.25 -32.99 61.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 109.312 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -55.68 -34.33 64.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 110.278 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.641 ' H ' HD12 ' A' ' 17' ' ' ILE . 0.2 OUTLIER -113.52 97.35 5.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 179.951 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.9 160.51 28.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.695 HG11 ' HB2' ' A' ' 71' ' ' LEU . 97.9 t -87.29 122.92 39.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.296 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.513 ' CB ' ' HA ' ' A' ' 21' ' ' PRO . 0.6 OUTLIER -77.29 161.3 73.28 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.014 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.513 ' HA ' ' CB ' ' A' ' 20' ' ' SER . 18.3 Cg_endo -74.99 174.14 54.22 Favored 'Cis proline' 0 C--N 1.359 1.128 0 C-N-CA 121.016 -2.493 . . . . 0.0 111.018 -0.019 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 4.01 5.1 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.467 1.772 . . . . 0.0 111.0 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -69.94 -23.78 63.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 110.332 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.432 ' O ' ' N ' ' A' ' 28' ' ' ARG . . . -59.38 -14.58 27.68 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.492 1.12 . . . . 0.0 110.978 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -44.04 -34.63 1.81 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 0.775 . . . . 0.0 109.301 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -85.14 -61.26 1.81 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.431 1.082 . . . . 0.0 110.295 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.751 ' O ' HG12 ' A' ' 30' ' ' VAL . 3.4 m -49.92 -21.65 1.25 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.428 1.08 . . . . 0.0 110.399 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.432 ' N ' ' O ' ' A' ' 24' ' ' GLY . 5.9 tmm_? -49.9 -24.08 2.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.103 . . . . 0.0 110.329 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 44.7 mtp180 -74.43 -28.55 61.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.296 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.751 HG12 ' O ' ' A' ' 27' ' ' THR . 8.4 p -95.33 -26.48 4.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.356 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.675 HG23 ' HB2' ' A' ' 73' ' ' TYR . 58.9 mt -74.53 -64.4 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.567 1.167 . . . . 0.0 109.306 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.432 ' O ' ' N ' ' A' ' 36' ' ' ARG . 7.7 mm-40 -38.18 -36.84 0.24 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.327 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.476 ' O ' ' N ' ' A' ' 37' ' ' PHE . 0.1 OUTLIER -50.09 -52.7 32.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.322 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.545 HD22 ' HE2' ' A' ' 59' ' ' PHE . 17.4 tp -60.38 -35.82 76.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.45 ' HA ' HG22 ' A' ' 77' ' ' VAL . . . -71.42 -27.94 63.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.499 ' O ' ' CG ' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -89.02 -26.33 21.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 0.0 110.294 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.476 ' N ' ' O ' ' A' ' 33' ' ' LYS . 44.7 t80 -83.22 -45.38 13.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.123 . . . . 0.0 111.032 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.668 HG21 ' OH ' ' A' ' 73' ' ' TYR . 11.3 t -67.91 -72.63 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.621 ' HB3' HD12 ' A' ' 80' ' ' ILE . . . -40.1 -32.36 0.17 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 109.336 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.499 ' CG ' ' O ' ' A' ' 36' ' ' ARG . 2.7 mm-40 -55.25 -64.87 0.7 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.097 . . . . 0.0 110.294 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -85.17 -58.1 2.14 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.449 1.093 . . . . 0.0 111.051 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 147.22 -142.74 10.54 Favored Glycine 0 CA--C 1.53 0.981 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -26.23 11.25 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.476 1.777 . . . . 0.0 111.055 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.871 ' O ' HG23 ' A' ' 48' ' ' VAL . 6.9 tt0 -57.9 -31.51 66.83 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.526 1.141 . . . . 0.0 110.27 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.569 ' N ' ' CD2' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -75.63 -35.85 60.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 109.287 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -67.27 -34.46 77.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.096 . . . . 0.0 110.281 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.5 mttt -77.96 -34.03 51.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.871 HG23 ' O ' ' A' ' 44' ' ' GLU . 78.5 t -80.43 -28.93 11.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.538 1.149 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.43 ' N ' ' O ' ' A' ' 45' ' ' LEU . . . -62.28 -46.08 90.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.568 1.168 . . . . 0.0 109.334 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.91 -19.44 12.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 111.013 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -97.61 -40.04 8.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 110.313 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.523 ' HB3' ' CD1' ' A' ' 53' ' ' TYR . 5.1 t70 -61.33 -43.24 99.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.267 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.561 ' N ' ' CD1' ' A' ' 53' ' ' TYR . 0.8 OUTLIER -109.53 30.02 7.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 111.02 -179.946 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 29.1 tttt -49.52 -25.34 2.61 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.472 1.108 . . . . 0.0 109.324 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -131.74 84.96 2.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.597 ' O ' HG22 ' A' ' 60' ' ' THR . 0.5 OUTLIER -135.09 119.19 13.34 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 109.306 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.508 ' C ' HG23 ' A' ' 60' ' ' THR . 18.1 Cg_endo -75.04 -16.43 20.13 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.462 1.77 . . . . 0.0 110.997 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -99.83 -43.63 6.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.567 ' HE1' HG22 ' A' ' 30' ' ' VAL . 0.2 OUTLIER -86.91 34.47 0.67 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 111.002 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.597 HG22 ' O ' ' A' ' 56' ' ' ASN . 68.3 p -69.36 -11.9 61.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.11 . . . . 0.0 110.422 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.534 ' CE1' ' HA ' ' A' ' 59' ' ' PHE . 44.5 p90 -72.82 -17.83 61.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.963 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.499 HD12 ' HA ' ' A' ' 62' ' ' LEU . 1.4 tp -51.41 -71.36 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 2.2 m80 -55.23 -66.06 0.48 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.155 . . . . 0.0 109.625 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -64.97 91.63 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.57 ' HG3' ' CZ ' ' A' ' 70' ' ' PHE . 0.1 OUTLIER -58.72 -58.59 7.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.292 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 16.5 m-80 -73.74 63.39 0.86 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.559 1.162 . . . . 0.0 109.302 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.406 ' O ' ' HB3' ' A' ' 68' ' ' ARG . 34.9 t -108.42 -79.72 0.58 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 110.043 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.475 ' HG2' ' N ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER 174.33 -30.62 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 110.245 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.475 ' N ' ' HG2' ' A' ' 68' ' ' ARG . 0.2 OUTLIER -87.94 -42.57 12.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.291 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.57 ' CZ ' ' HG3' ' A' ' 65' ' ' LYS . 79.6 t80 -52.54 -43.75 65.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 110.983 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.731 ' N ' HD13 ' A' ' 71' ' ' LEU . 0.1 OUTLIER -64.04 -60.16 3.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.429 ' HD2' HG21 ' A' ' 31' ' ' ILE . 49.6 t80 -50.56 -25.51 4.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 111.003 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.675 ' HB2' HG23 ' A' ' 31' ' ' ILE . 0.5 OUTLIER -81.74 -48.5 11.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 110.984 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.66 -18.97 65.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 110.245 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.608 ' HG3' HG23 ' A' ' 19' ' ' VAL . 69.7 mmt-85 -67.75 -76.72 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 110.27 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.538 ' HG2' ' CD2' ' A' ' 15' ' ' LEU . 0.3 OUTLIER -53.58 -25.39 17.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.501 HG23 ' O ' ' A' ' 73' ' ' TYR . 0.9 OUTLIER -48.19 -36.69 6.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 0.0 109.298 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -74.42 -31.0 62.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.466 ' N ' ' O ' ' A' ' 76' ' ' LYS . 15.8 tp10 -71.08 -51.49 24.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.246 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.621 HD12 ' HB3' ' A' ' 39' ' ' ALA . 0.0 OUTLIER -68.24 -39.31 80.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.15 . . . . 0.0 109.292 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 5.2 mmm180 -39.01 -59.1 1.02 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.312 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.573 ' HG3' ' CE2' ' A' ' 11' ' ' TYR . 0.4 OUTLIER -41.85 -71.68 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.512 ' CB ' ' O ' ' A' ' 82' ' ' LYS . 0.9 OUTLIER 87.01 -44.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.979 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 109.62 -82.75 0.31 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.49 1.119 . . . . 0.0 110.988 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 164.01 34.14 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.485 1.782 . . . . 0.0 110.981 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.66 158.46 2.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.024 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 72.9 p -114.71 140.12 49.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 110.046 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.484 1.115 . . . . 0.0 111.004 -179.983 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 N-CA-C 111.031 -0.827 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.8 m -67.72 152.68 45.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.548 0.793 . . . . 0.0 110.051 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -104.14 97.39 7.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 109.981 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 88.38 172.42 46.85 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.51 1.131 . . . . 0.0 110.982 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -128.92 107.14 9.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 0.772 . . . . 0.0 110.012 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.11 136.21 49.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.002 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 147.57 -147.11 17.55 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.5 1.125 . . . . 0.0 111.002 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -112.23 68.68 0.67 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 0.77 . . . . 0.0 110.275 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.41 ' C ' ' N ' ' A' ' 11' ' ' TYR . 15.2 tt0 -39.88 -32.07 0.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 110.346 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.454 ' O ' ' N ' ' A' ' 13' ' ' GLN . 31.7 m-20 -45.2 -27.7 0.66 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.329 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.546 ' C ' ' CD1' ' A' ' 11' ' ' TYR . 2.3 p90 -47.63 -23.44 0.67 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.986 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.473 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 9.6 pt-20 -97.14 -25.16 15.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.291 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.454 ' N ' ' O ' ' A' ' 10' ' ' ASP . 0.1 OUTLIER -61.51 -13.86 24.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.103 . . . . 0.0 110.275 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 27.1 m95 -83.86 -36.77 23.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 108.009 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.624 HD11 ' HD3' ' A' ' 76' ' ' LYS . 0.5 OUTLIER -52.67 -36.94 57.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -59.2 -19.53 46.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 110.255 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -113.2 93.93 2.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 109.344 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.41 156.02 28.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.118 . . . . 0.0 109.313 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.514 HG11 ' N ' ' A' ' 72' ' ' TYR . 0.9 OUTLIER -88.54 157.14 3.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.11 . . . . 0.0 109.252 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.499 ' HA ' ' C ' ' A' ' 21' ' ' PRO . 0.0 OUTLIER -101.3 152.84 38.04 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.556 1.16 . . . . 0.0 110.029 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.499 ' C ' ' HA ' ' A' ' 20' ' ' SER . 18.3 Cg_endo -75.09 174.37 53.08 Favored 'Cis proline' 0 C--N 1.36 1.144 0 C-N-CA 120.973 -2.511 . . . . 0.0 110.998 0.076 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 4.6 4.63 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.499 1.789 . . . . 0.0 110.966 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -75.38 -25.01 57.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 110.289 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -65.35 -12.86 57.04 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.519 1.137 . . . . 0.0 110.983 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.467 ' O ' ' CG ' ' A' ' 28' ' ' ARG . . . -45.31 -74.58 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.525 0.779 . . . . 0.0 109.285 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -46.97 -43.81 19.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.34 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.639 HG21 ' CD ' ' A' ' 69' ' ' GLU . 1.6 m -51.53 -24.51 5.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.155 . . . . 0.0 110.395 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.467 ' CG ' ' O ' ' A' ' 25' ' ' ALA . 0.3 OUTLIER -44.39 -25.66 0.27 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 110.261 -179.942 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.405 ' N ' ' C ' ' A' ' 27' ' ' THR . 29.1 mtm180 -66.96 -42.3 85.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 110.348 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.565 HG12 HG22 ' A' ' 27' ' ' THR . 1.9 p -82.6 -32.12 10.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.325 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.659 HG21 ' HD2' ' A' ' 72' ' ' TYR . 65.9 mt -67.23 -58.16 7.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -43.74 -36.43 2.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 110.283 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.4 tptt -50.67 -53.19 33.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.449 1.093 . . . . 0.0 109.305 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 1.103 HD11 HD21 ' A' ' 62' ' ' LEU . 0.4 OUTLIER -61.94 -46.08 90.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.32 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.592 ' CB ' HG12 ' A' ' 77' ' ' VAL . . . -52.42 -51.2 60.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 109.322 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.415 ' O ' ' CB ' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -64.72 -15.85 62.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 110.284 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.549 ' O ' HD12 ' A' ' 45' ' ' LEU . 11.8 t80 -95.12 -24.05 17.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.987 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.951 HG21 ' OH ' ' A' ' 73' ' ' TYR . 25.6 t -91.33 -76.58 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.725 ' HB3' HD12 ' A' ' 80' ' ' ILE . . . -40.7 -28.87 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.446 ' N ' ' C ' ' A' ' 38' ' ' VAL . 2.7 tt0 -65.38 -62.11 1.72 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 110.335 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -85.85 -58.34 2.03 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.493 1.121 . . . . 0.0 110.994 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 38' ' ' VAL . . . 147.8 -144.47 12.46 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 110.984 -0.847 . . . . 0.0 110.984 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -33.65 4.37 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.508 1.793 . . . . 0.0 110.958 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.52 ' O ' HG23 ' A' ' 48' ' ' VAL . 0.2 OUTLIER -48.58 -35.95 14.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 110.313 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.549 HD12 ' O ' ' A' ' 37' ' ' PHE . 0.1 OUTLIER -71.18 -59.29 2.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.297 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -40.21 -29.79 0.08 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.098 . . . . 0.0 110.314 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.421 ' N ' ' C ' ' A' ' 45' ' ' LEU . 0.2 OUTLIER -84.04 -51.8 6.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.263 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.52 HG23 ' O ' ' A' ' 44' ' ' GLU . 47.8 t -56.78 -40.35 70.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -48.54 -49.97 34.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 109.277 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 11.8 mtt -58.44 -17.1 18.16 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.549 1.156 . . . . 0.0 111.037 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -96.93 -49.82 4.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.305 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -53.92 -32.7 54.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.338 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -121.11 30.77 6.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 0.0 111.047 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.1 tptp -46.95 -43.93 19.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -109.51 76.09 0.98 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.268 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.695 ' O ' HG22 ' A' ' 60' ' ' THR . 1.4 t-20 -133.09 119.22 15.55 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.523 ' C ' HG23 ' A' ' 60' ' ' THR . 18.3 Cg_endo -75.0 -14.33 21.15 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.499 1.789 . . . . 0.0 111.037 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -98.33 -45.03 6.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.266 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.504 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 0.5 OUTLIER -86.45 37.11 0.72 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 111.037 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.695 HG22 ' O ' ' A' ' 56' ' ' ASN . 64.0 p -76.06 -12.3 60.1 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.445 1.091 . . . . 0.0 110.349 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.504 ' CE1' ' HA ' ' A' ' 59' ' ' PHE . 48.4 p90 -67.23 -33.53 75.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 111.02 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 1.103 HD21 HD11 ' A' ' 34' ' ' LEU . 11.0 mt -45.97 -68.02 0.23 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 12.6 m-70 -51.51 -64.0 0.95 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.615 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -67.11 90.35 0.2 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 0.0 109.267 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.48 ' HG2' ' CZ ' ' A' ' 70' ' ' PHE . 31.7 mtpt -57.8 -25.15 60.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 109.284 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 38.8 p30 -110.07 60.67 0.6 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 109.306 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.425 ' O ' ' HB3' ' A' ' 68' ' ' ARG . 37.9 t -102.84 -77.56 0.56 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.502 1.126 . . . . 0.0 110.037 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.49 ' HG2' ' N ' ' A' ' 69' ' ' GLU . 0.1 OUTLIER 174.73 -29.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.297 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.639 ' CD ' HG21 ' A' ' 27' ' ' THR . 0.4 OUTLIER -92.13 -42.76 9.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.315 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.48 ' CZ ' ' HG2' ' A' ' 65' ' ' LYS . 63.7 t80 -57.26 -25.21 58.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.537 1.148 . . . . 0.0 110.955 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.424 ' C ' HG11 ' A' ' 19' ' ' VAL . 19.1 mt -73.59 -60.85 2.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 109.332 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.659 ' HD2' HG21 ' A' ' 31' ' ' ILE . 78.5 t80 -57.7 -26.23 61.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 111.012 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 1.038 ' O ' HG13 ' A' ' 77' ' ' VAL . 2.6 t80 -60.09 -60.09 4.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 110.99 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.467 ' HG2' ' CE2' ' A' ' 73' ' ' TYR . 9.6 mmm-85 -63.47 -14.26 48.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 110.301 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.494 ' O ' ' CD1' ' A' ' 15' ' ' LEU . 11.3 mmt180 -86.99 -25.59 24.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 110.342 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.624 ' HD3' HD11 ' A' ' 15' ' ' LEU . 0.5 OUTLIER -91.69 -41.44 10.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.294 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 1.038 HG13 ' O ' ' A' ' 73' ' ' TYR . 4.3 m -46.93 -50.72 5.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 109.29 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.479 ' N ' HG23 ' A' ' 77' ' ' VAL . . . -48.76 -27.86 3.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.125 . . . . 0.0 109.347 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.541 ' HG2' HD22 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -70.22 -58.06 4.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.314 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.725 HD12 ' HB3' ' A' ' 39' ' ' ALA . 0.0 OUTLIER -67.21 -34.3 68.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.453 ' HG2' ' CB ' ' A' ' 39' ' ' ALA . 6.7 mmm180 -43.32 -49.28 6.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 110.297 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.25 146.39 0.19 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -178.19 -58.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 109.984 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 174.35 -170.57 43.71 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.467 1.104 . . . . 0.0 111.017 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 61.94 5.76 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.494 1.786 . . . . 0.0 111.016 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 56.04 96.82 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.562 1.164 . . . . 0.0 109.968 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.6 m -102.14 -60.88 1.46 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.553 1.158 . . . . 0.0 109.994 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.466 1.104 . . . . 0.0 110.961 -179.988 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.0 m -86.89 146.31 26.23 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.553 0.796 . . . . 0.0 109.999 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.8 p -86.82 97.75 10.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.035 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 146.27 54.11 0.02 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.539 1.149 . . . . 0.0 110.996 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.9 m -117.64 95.89 5.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 0.753 . . . . 0.0 110.008 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 98.1 p -69.84 100.19 1.5 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.99 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 104.76 -168.85 16.34 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.489 1.118 . . . . 0.0 111.028 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -144.01 97.09 3.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 0.74 . . . . 0.0 110.301 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -45.97 -25.23 0.52 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.272 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.459 ' O ' ' N ' ' A' ' 13' ' ' GLN . 11.2 m-20 -42.6 -32.74 0.6 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.572 ' C ' ' CD1' ' A' ' 11' ' ' TYR . 1.8 p90 -47.37 -23.23 0.55 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 110.991 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.774 ' OE1' HD12 ' A' ' 15' ' ' LEU . 16.8 tp10 -96.96 -26.41 15.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.257 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.459 ' N ' ' O ' ' A' ' 10' ' ' ASP . 0.2 OUTLIER -63.24 -12.09 26.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.318 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 29.3 m95 -88.33 -20.93 24.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 108.036 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.774 HD12 ' OE1' ' A' ' 12' ' ' GLU . 24.3 mt -69.9 -26.1 64.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -64.11 -36.17 83.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.282 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -101.73 94.68 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 27.8 mmtm -83.71 158.62 21.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.317 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.501 HG11 ' N ' ' A' ' 72' ' ' TYR . 0.8 OUTLIER -88.49 156.77 3.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.263 -179.945 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.505 ' HA ' ' C ' ' A' ' 21' ' ' PRO . 6.3 m -103.04 154.98 37.18 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.431 1.082 . . . . 0.0 110.0 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.505 ' C ' ' HA ' ' A' ' 20' ' ' SER . 18.2 Cg_endo -75.0 174.57 52.04 Favored 'Cis proline' 0 C--N 1.36 1.141 0 C-N-CA 120.995 -2.502 . . . . 0.0 110.99 0.013 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 4.04 5.1 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.482 1.78 . . . . 0.0 110.981 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -69.61 -26.93 64.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 110.353 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -56.11 -16.97 15.4 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.523 1.139 . . . . 0.0 111.025 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -48.16 -38.77 18.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 0.77 . . . . 0.0 109.348 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -76.37 -54.0 7.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 110.292 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.851 HG22 HG12 ' A' ' 30' ' ' VAL . 1.4 m -56.2 -18.48 10.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 110.422 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.493 ' C ' ' CD ' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -42.69 -26.74 0.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 110.286 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.409 ' N ' ' C ' ' A' ' 27' ' ' THR . 1.5 mtp180 -69.59 -49.74 51.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 110.32 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.851 HG12 HG22 ' A' ' 27' ' ' THR . 1.4 p -76.03 -30.63 20.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.29 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.728 HG23 ' HB2' ' A' ' 73' ' ' TYR . 68.5 mt -65.04 -51.93 60.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.115 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -67.62 -24.82 65.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.249 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.0 tptp -59.05 -35.19 72.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.34 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.599 HD11 HD21 ' A' ' 62' ' ' LEU . 0.3 OUTLIER -76.68 -58.48 3.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 109.326 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.448 ' HB1' HG21 ' A' ' 80' ' ' ILE . . . -47.07 -50.08 20.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.341 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.478 ' HA ' ' CD1' ' A' ' 80' ' ' ILE . 0.0 OUTLIER -56.87 -25.29 56.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.307 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.464 ' O ' HD12 ' A' ' 45' ' ' LEU . 14.0 t80 -93.72 -30.02 15.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 110.995 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.595 HG23 HD22 ' A' ' 34' ' ' LEU . 25.4 t -81.0 -75.87 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.453 ' CB ' ' HG2' ' A' ' 81' ' ' ARG . . . -40.13 -30.2 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.44 ' N ' ' C ' ' A' ' 38' ' ' VAL . 1.7 tt0 -64.03 -64.36 0.91 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 110.312 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -78.4 -58.72 3.05 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.503 1.127 . . . . 0.0 111.055 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 145.11 -144.08 12.68 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -36.41 2.58 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.542 1.811 . . . . 0.0 111.003 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -48.59 -31.45 6.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 110.281 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.539 ' N ' ' CD2' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -72.46 -62.78 1.32 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 109.295 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.1 tm-20 -39.6 -29.94 0.06 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.112 . . . . 0.0 110.297 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.409 ' N ' ' O ' ' A' ' 45' ' ' LEU . 2.0 mttt -80.48 -57.96 3.34 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.542 1.151 . . . . 0.0 109.308 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 40.2 t -54.77 -38.37 43.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.273 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.465 ' O ' ' CD2' ' A' ' 53' ' ' TYR . . . -53.63 -54.47 37.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.441 ' HA ' HD13 ' A' ' 62' ' ' LEU . 1.8 mtt -55.28 -17.54 4.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 111.046 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -98.21 -36.83 9.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.295 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -64.8 -25.41 67.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.568 1.168 . . . . 0.0 109.255 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.585 ' CD2' ' CD2' ' A' ' 59' ' ' PHE . 5.0 m-85 -125.61 29.62 5.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 0.0 111.004 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.4 ttmt -47.92 -28.61 2.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.311 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 -130.65 76.32 1.71 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.519 1.137 . . . . 0.0 109.27 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.487 ' O ' HG22 ' A' ' 60' ' ' THR . 2.6 t-20 -135.41 120.24 13.54 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.266 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.547 ' C ' HG23 ' A' ' 60' ' ' THR . 18.1 Cg_endo -75.05 -8.45 20.03 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.512 1.796 . . . . 0.0 110.984 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -99.61 -43.72 6.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.585 ' CD2' ' CD2' ' A' ' 53' ' ' TYR . 0.2 OUTLIER -88.23 33.65 0.74 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 111.012 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.547 HG23 ' C ' ' A' ' 57' ' ' PRO . 58.2 p -72.78 -12.58 61.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 110.382 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.593 ' CZ ' HD12 ' A' ' 34' ' ' LEU . 43.3 p90 -69.67 -33.67 72.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 111.013 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.599 HD21 HD11 ' A' ' 34' ' ' LEU . 6.5 mt -43.7 -68.49 0.19 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 109.337 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -69.27 68.29 0.2 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 109.584 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.424 ' N ' ' O ' ' A' ' 62' ' ' LEU . 2.0 t0 172.39 115.82 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.571 ' HA ' ' CD1' ' A' ' 70' ' ' PHE . 0.2 OUTLIER -79.06 -74.68 0.27 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.514 1.134 . . . . 0.0 109.248 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 26.2 p30 -77.77 73.69 4.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.323 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 11.2 t -116.24 -76.46 0.57 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.991 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.426 ' O ' HG21 ' A' ' 19' ' ' VAL . 0.0 OUTLIER 170.71 -32.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.293 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -94.13 -39.27 10.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.437 1.086 . . . . 0.0 110.336 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.571 ' CD1' ' HA ' ' A' ' 65' ' ' LYS . 41.0 t80 -65.44 -16.91 64.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.467 1.104 . . . . 0.0 111.006 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 11.9 mt -85.29 -65.6 0.99 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.569 ' HD2' HG21 ' A' ' 31' ' ' ILE . 67.5 t80 -51.86 -23.06 4.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 110.968 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.967 ' O ' HG23 ' A' ' 77' ' ' VAL . 1.7 t80 -76.09 -32.33 59.17 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.482 1.114 . . . . 0.0 110.986 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.91 -20.42 27.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 110.331 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 21.6 mmt180 -74.17 -32.78 63.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 110.306 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.547 ' HG2' ' CD2' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -93.36 -22.23 19.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.098 . . . . 0.0 109.261 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.967 HG23 ' O ' ' A' ' 73' ' ' TYR . 1.9 t -48.75 -33.51 5.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -76.07 -31.26 58.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.157 . . . . 0.0 109.301 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.597 ' HG3' HD11 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -70.23 -49.07 53.85 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.504 1.128 . . . . 0.0 110.311 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.478 ' CD1' ' HA ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -72.37 -35.48 52.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.459 ' CG ' ' O ' ' A' ' 77' ' ' VAL . 7.1 mmm-85 -48.23 -55.72 9.78 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 110.276 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.449 ' HD3' ' CD2' ' A' ' 11' ' ' TYR . 0.5 OUTLIER -40.46 -66.6 0.3 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.258 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -128.68 108.71 10.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.004 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -141.91 73.44 0.37 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.442 1.089 . . . . 0.0 110.97 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -22.79 14.53 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.446 1.761 . . . . 0.0 111.024 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 71.19 164.68 0.28 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.985 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 31.4 t -75.16 142.03 43.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.96 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.478 1.111 . . . . 0.0 110.985 179.964 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 m -157.92 83.82 0.87 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 0.753 . . . . 0.0 109.971 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.4 p -161.86 131.3 4.56 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.551 1.157 . . . . 0.0 109.991 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -125.54 161.96 19.89 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.487 1.117 . . . . 0.0 110.968 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.96 120.35 0.16 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 0.786 . . . . 0.0 110.022 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.8 p -88.38 116.1 26.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.958 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 60.82 101.58 0.01 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.483 1.114 . . . . 0.0 110.978 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -153.51 148.95 27.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.534 0.784 . . . . 0.0 110.27 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.438 ' HA ' ' CD2' ' A' ' 11' ' ' TYR . 4.7 mt-10 -51.85 -20.55 2.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.286 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.44 ' O ' ' N ' ' A' ' 13' ' ' GLN . 27.3 m-20 -57.78 -17.26 14.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.563 ' CE2' ' CB ' ' A' ' 82' ' ' LYS . 3.2 p90 -49.38 -23.79 1.63 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 111.002 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.487 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 1.8 pt-20 -94.09 -22.68 18.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.356 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.44 ' N ' ' O ' ' A' ' 10' ' ' ASP . 0.2 OUTLIER -60.54 -14.11 17.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.324 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.641 ' O ' HD12 ' A' ' 17' ' ' ILE . 27.9 m95 -79.89 -27.73 39.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 108.01 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.723 HD11 ' HD3' ' A' ' 76' ' ' LYS . 5.2 mt -62.81 -16.16 57.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -68.13 -32.77 73.29 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.465 1.103 . . . . 0.0 110.265 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.645 ' H ' HD12 ' A' ' 17' ' ' ILE . 0.1 OUTLIER -110.52 92.32 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.34 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.84 168.78 0.85 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.271 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.797 HG21 ' HB2' ' A' ' 72' ' ' TYR . 14.1 m -86.62 160.52 3.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 109.314 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.514 ' HA ' ' C ' ' A' ' 21' ' ' PRO . 0.8 OUTLIER -128.19 151.45 76.22 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.549 1.156 . . . . 0.0 110.006 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.514 ' C ' ' HA ' ' A' ' 20' ' ' SER . 18.5 Cg_endo -74.94 174.51 52.25 Favored 'Cis proline' 0 C--N 1.36 1.177 0 C-N-CA 120.967 -2.514 . . . . 0.0 111.027 -0.065 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 4.21 4.95 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.489 1.784 . . . . 0.0 111.002 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -75.7 -18.33 59.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 110.276 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -82.29 -12.62 80.38 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.483 1.114 . . . . 0.0 111.017 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.426 ' O ' ' CG ' ' A' ' 28' ' ' ARG . . . -56.43 -18.53 11.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 0.782 . . . . 0.0 109.305 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -73.68 -35.15 65.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.445 1.091 . . . . 0.0 110.279 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.709 HG22 HG12 ' A' ' 30' ' ' VAL . 1.6 m -88.94 -25.93 21.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 110.351 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.575 ' HB2' ' CE2' ' A' ' 72' ' ' TYR . 0.0 OUTLIER -38.91 -29.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.296 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 27' ' ' THR . 61.7 mtp180 -68.63 -55.74 10.51 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.538 1.149 . . . . 0.0 110.301 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.709 HG12 HG22 ' A' ' 27' ' ' THR . 1.4 p -63.19 -32.35 56.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.566 1.167 . . . . 0.0 109.344 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.46 ' CG2' ' HA ' ' A' ' 73' ' ' TYR . 5.5 mt -66.28 -45.41 89.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -41.61 -42.99 2.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.142 . . . . 0.0 110.37 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.46 ' O ' ' N ' ' A' ' 37' ' ' PHE . 7.0 mmmt -64.65 -43.16 94.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.334 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.857 HD11 HD21 ' A' ' 62' ' ' LEU . 0.8 OUTLIER -56.93 -52.0 66.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.81 -50.9 72.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 109.321 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.467 ' O ' ' CG ' ' A' ' 40' ' ' GLU . 68.6 ttt180 -61.41 -32.57 72.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.297 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.46 ' N ' ' O ' ' A' ' 33' ' ' LYS . 27.2 t80 -74.98 -46.16 37.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 111.022 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.426 HG12 ' N ' ' A' ' 39' ' ' ALA . 3.8 t -67.41 -70.72 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.1 . . . . 0.0 109.292 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.904 ' HB3' HD12 ' A' ' 80' ' ' ILE . . . -39.6 -37.96 0.56 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.432 1.083 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.467 ' CG ' ' O ' ' A' ' 36' ' ' ARG . 1.4 mm-40 -50.94 -66.29 0.41 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 110.289 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -84.53 -62.94 1.66 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.523 1.139 . . . . 0.0 111.0 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 152.29 -141.61 8.64 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -30.35 7.25 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.478 1.778 . . . . 0.0 110.988 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.45 ' O ' HG23 ' A' ' 48' ' ' VAL . 3.1 tt0 -54.97 -33.1 62.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.287 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.56 ' N ' ' CD2' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -71.11 -52.59 18.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.343 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.07 -27.98 9.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.277 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.24 -49.31 12.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.324 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 44' ' ' GLU . 53.9 t -60.5 -41.66 88.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -53.66 -49.54 67.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 3.1 mtt -47.43 -23.07 0.53 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 111.043 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -96.28 -33.81 11.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.311 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 36.0 t0 -66.66 -41.95 87.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.807 ' CD2' ' CD2' ' A' ' 59' ' ' PHE . 8.6 m-85 -109.34 28.97 7.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 111.012 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.4 ttmt -50.66 -55.2 17.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -110.85 77.74 1.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.329 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -135.32 119.82 13.42 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.551 ' C ' HG23 ' A' ' 60' ' ' THR . 18.2 Cg_endo -74.96 -3.3 13.72 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.503 1.791 . . . . 0.0 110.988 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -99.77 -46.43 5.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.807 ' CD2' ' CD2' ' A' ' 53' ' ' TYR . 0.7 OUTLIER -87.96 32.27 0.75 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 110.984 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.551 HG23 ' C ' ' A' ' 57' ' ' PRO . 74.6 p -68.59 -12.19 60.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.406 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.755 ' HZ ' HD12 ' A' ' 34' ' ' LEU . 46.2 p90 -70.64 -36.14 73.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.96 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.857 HD21 HD11 ' A' ' 34' ' ' LEU . 7.2 mt -39.61 -69.3 0.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 15.3 m-70 -42.67 -55.03 3.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.572 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -52.98 140.61 24.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.591 ' HA ' ' CD1' ' A' ' 70' ' ' PHE . 11.1 mtmt -138.75 42.8 2.13 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 171.68 41.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 109.279 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.3 t -110.14 -70.45 0.81 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 110.012 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.777 ' HA ' HD12 ' A' ' 71' ' ' LEU . 0.0 OUTLIER 174.79 -32.15 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.488 1.117 . . . . 0.0 110.315 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.487 ' N ' ' HG2' ' A' ' 68' ' ' ARG . 0.5 OUTLIER -79.66 -49.75 11.66 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 0.0 110.289 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.591 ' CD1' ' HA ' ' A' ' 65' ' ' LYS . 34.8 t80 -61.43 -17.35 53.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 111.007 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.777 HD12 ' HA ' ' A' ' 68' ' ' ARG . 18.2 mt -79.8 -54.94 5.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.438 1.086 . . . . 0.0 109.237 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.797 ' HB2' HG21 ' A' ' 19' ' ' VAL . 89.5 t80 -57.76 -37.15 73.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 110.97 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.773 ' O ' HG23 ' A' ' 77' ' ' VAL . 0.8 OUTLIER -54.1 -52.7 60.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 111.012 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.71 -20.55 59.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.304 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.544 ' NH2' ' O ' ' A' ' 17' ' ' ILE . 2.3 mmm180 -68.24 -77.47 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.281 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.723 ' HD3' HD11 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -49.13 -25.26 2.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.773 HG23 ' O ' ' A' ' 73' ' ' TYR . 1.2 t -51.34 -26.19 5.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -80.45 -30.82 37.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.355 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.493 ' HA ' ' CE1' ' A' ' 11' ' ' TYR . 35.7 tp10 -73.39 -55.6 6.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.269 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.904 HD12 ' HB3' ' A' ' 39' ' ' ALA . 0.0 OUTLIER -61.1 -40.11 84.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.406 ' CG ' ' O ' ' A' ' 77' ' ' VAL . 1.7 mmm180 -47.5 -68.52 0.18 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.116 . . . . 0.0 110.311 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.563 ' CB ' ' CE2' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -60.62 129.97 44.22 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.137 . . . . 0.0 109.301 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 41.4 t -179.38 -62.97 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.996 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 158.97 98.82 0.14 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.493 1.12 . . . . 0.0 111.033 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 175.23 11.51 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.524 1.802 . . . . 0.0 110.962 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -174.69 -56.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.018 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 24.8 t -151.29 127.93 10.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.155 . . . . 0.0 110.028 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 O-C-N 124.546 1.154 . . . . 0.0 110.986 -179.99 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.3 m 61.74 99.71 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.467 0.745 . . . . 0.0 109.993 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 m -167.3 118.88 0.9 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.953 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 132.12 -146.46 18.11 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.497 1.123 . . . . 0.0 110.981 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 m -90.4 168.14 12.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 0.739 . . . . 0.0 109.996 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.3 m -110.37 100.31 9.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.982 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.73 128.04 0.99 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.472 1.107 . . . . 0.0 111.012 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 10' ' ' ASP . 38.5 tt0 -174.68 146.53 0.98 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 0.75 . . . . 0.0 110.304 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.482 ' O ' ' CG ' ' A' ' 12' ' ' GLU . 34.1 mt-10 -38.46 -30.59 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.543 1.152 . . . . 0.0 110.298 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.484 ' O ' ' N ' ' A' ' 13' ' ' GLN . 24.2 m-20 -41.01 -52.81 3.1 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.453 1.096 . . . . 0.0 109.312 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.571 ' CE1' ' HB3' ' A' ' 12' ' ' GLU . 0.2 OUTLIER -38.46 -29.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 110.991 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.571 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 2.7 pt-20 -110.58 -23.05 11.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.329 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.484 ' N ' ' O ' ' A' ' 10' ' ' ASP . 0.3 OUTLIER -73.19 -16.52 61.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.311 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 21.5 m95 -81.03 -8.76 59.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.155 . . . . 0.0 108.003 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.723 HD11 ' HG3' ' A' ' 79' ' ' GLU . 34.4 mt -77.42 -24.06 50.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -67.8 -47.03 70.25 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 110.276 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.452 ' H ' HD12 ' A' ' 17' ' ' ILE . 0.2 OUTLIER -92.13 95.22 5.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.269 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.16 159.43 27.41 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.468 1.105 . . . . 0.0 109.328 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.582 HG11 ' C ' ' A' ' 71' ' ' LEU . 3.0 m -87.2 166.93 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.502 ' HA ' ' C ' ' A' ' 21' ' ' PRO . 59.1 m -112.37 150.8 43.12 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 0.0 110.052 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.502 ' C ' ' HA ' ' A' ' 20' ' ' SER . 18.4 Cg_endo -75.0 174.28 53.53 Favored 'Cis proline' 0 C--N 1.36 1.16 0 C-N-CA 121.0 -2.5 . . . . 0.0 111.036 0.014 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 4.41 4.78 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.506 1.793 . . . . 0.0 110.997 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 25' ' ' ALA . 3.1 tt0 -70.77 -39.79 73.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.344 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -38.43 -29.68 0.07 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.437 1.086 . . . . 0.0 111.003 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 23' ' ' GLU . . . -45.44 -39.79 7.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 0.765 . . . . 0.0 109.267 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -73.99 -48.13 32.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 110.283 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.459 ' O ' ' N ' ' A' ' 30' ' ' VAL . 92.6 m -63.67 -14.26 50.38 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.449 1.093 . . . . 0.0 110.386 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.452 ' O ' ' N ' ' A' ' 31' ' ' ILE . 0.3 OUTLIER -42.8 -56.02 3.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 110.266 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.432 ' N ' ' HD2' ' A' ' 28' ' ' ARG . 63.6 mtp180 -45.44 -26.29 0.54 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.255 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.459 ' N ' ' O ' ' A' ' 27' ' ' THR . 63.1 t -95.05 -32.89 4.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.541 HG23 ' HB2' ' A' ' 73' ' ' TYR . 45.2 mt -72.61 -67.76 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.336 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.435 ' OE2' ' NE ' ' A' ' 28' ' ' ARG . 21.4 mt-10 -41.84 -31.34 0.31 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.128 . . . . 0.0 110.28 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.5 tptt -59.94 -48.62 80.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 109.291 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.995 HD21 HD21 ' A' ' 62' ' ' LEU . 48.9 tp -68.08 -45.72 73.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.14 -41.97 69.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 13.3 ttt-85 -71.07 -17.82 62.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 110.293 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 29.0 t80 -94.07 -33.86 13.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.1 . . . . 0.0 111.006 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.939 HG11 ' OH ' ' A' ' 73' ' ' TYR . 6.1 t -81.2 -75.95 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.462 1.102 . . . . 0.0 109.274 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.874 ' HB3' HD12 ' A' ' 80' ' ' ILE . . . -39.85 -29.96 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 38' ' ' VAL . 0.5 OUTLIER -62.74 -65.43 0.69 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 110.324 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -75.8 -52.8 6.19 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.473 1.108 . . . . 0.0 110.977 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 141.66 -147.44 18.99 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -33.15 4.76 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.468 1.772 . . . . 0.0 110.971 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.614 ' O ' HG23 ' A' ' 48' ' ' VAL . 1.8 tt0 -50.24 -32.15 15.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 110.263 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.514 ' N ' ' CD2' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -72.2 -61.26 1.86 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.334 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -40.31 -32.95 0.21 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 110.318 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -78.64 -57.28 3.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.614 HG23 ' O ' ' A' ' 44' ' ' GLU . 67.9 t -52.98 -42.88 45.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.46 1.1 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -47.69 -53.0 16.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.408 ' CE ' ' O ' ' A' ' 62' ' ' LEU . 7.8 mtt -55.47 -17.54 5.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 111.0 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -99.41 -57.27 2.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 110.322 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.487 ' HB3' ' CE1' ' A' ' 53' ' ' TYR . 11.4 t0 -49.5 -38.46 30.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.246 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.546 ' N ' ' CD1' ' A' ' 53' ' ' TYR . 0.6 OUTLIER -109.16 32.95 4.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 111.018 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 53' ' ' TYR . 8.0 tttt -38.78 -30.98 0.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.437 ' N ' ' C ' ' A' ' 53' ' ' TYR . 4.5 m-20 -112.99 80.31 1.34 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.712 ' O ' HG22 ' A' ' 60' ' ' THR . 0.2 OUTLIER -107.99 120.41 47.06 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.09 . . . . 0.0 109.279 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.607 ' O ' HG23 ' A' ' 60' ' ' THR . 18.2 Cg_endo -75.02 -59.93 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.479 1.778 . . . . 0.0 110.954 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -96.81 -15.98 21.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.709 ' HE1' HD22 ' A' ' 34' ' ' LEU . 0.3 OUTLIER -88.37 28.18 1.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 111.024 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.712 HG22 ' O ' ' A' ' 56' ' ' ASN . 73.6 p -74.68 -12.43 60.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.437 1.086 . . . . 0.0 110.389 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.587 ' CE1' ' CD1' ' A' ' 59' ' ' PHE . 44.0 p90 -65.92 -13.39 59.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 111.021 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.995 HD21 HD21 ' A' ' 34' ' ' LEU . 9.3 mt -61.5 -59.54 5.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 8.8 p80 -73.89 -48.03 33.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.574 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -74.68 88.91 2.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.27 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.56 ' HD3' ' CZ ' ' A' ' 70' ' ' PHE . 1.0 OUTLIER -56.66 -54.16 49.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 27.3 m120 -83.49 65.3 8.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.133 . . . . 0.0 109.268 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.4 ' O ' ' HB3' ' A' ' 68' ' ' ARG . 8.0 t -108.47 -82.33 0.56 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 110.004 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.502 ' HG2' ' N ' ' A' ' 69' ' ' GLU . 0.1 OUTLIER 175.43 -30.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 110.315 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.502 ' N ' ' HG2' ' A' ' 68' ' ' ARG . 0.8 OUTLIER -92.46 -28.85 16.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 110.336 179.952 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.56 ' CZ ' ' HD3' ' A' ' 65' ' ' LYS . 87.6 t80 -63.8 -40.47 96.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 111.013 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.799 ' N ' HD13 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -61.67 -49.67 75.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 109.294 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.518 ' CD2' HD12 ' A' ' 31' ' ' ILE . 42.9 t80 -61.49 -37.13 82.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 110.96 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.939 ' OH ' HG11 ' A' ' 38' ' ' VAL . 1.6 t80 -62.4 -64.02 1.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 111.039 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.552 ' N ' ' CD2' ' A' ' 73' ' ' TYR . 0.0 OUTLIER -51.74 -28.56 15.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.26 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -64.61 -78.64 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 110.28 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.575 ' HG2' ' CD2' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -54.58 -23.43 16.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.517 HG21 ' CE1' ' A' ' 73' ' ' TYR . 1.0 OUTLIER -52.35 -24.03 5.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.513 ' HB1' ' HA ' ' A' ' 11' ' ' TYR . . . -80.35 -27.85 38.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.723 ' HG3' HD11 ' A' ' 15' ' ' LEU . 8.0 tm-20 -71.04 -38.64 72.55 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 110.313 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.874 HD12 ' HB3' ' A' ' 39' ' ' ALA . 0.0 OUTLIER -81.34 -34.21 13.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.314 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.514 ' HG2' ' HB1' ' A' ' 39' ' ' ALA . 16.1 mmm-85 -49.78 -53.09 27.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.318 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.64 -165.47 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.148 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 70.11 25.55 4.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.981 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 74.85 85.85 0.29 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.514 1.134 . . . . 0.0 111.041 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -166.68 0.36 Allowed 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.515 1.797 . . . . 0.0 110.99 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -154.97 124.28 6.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 110.012 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 5.7 t -159.49 -61.17 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.437 1.086 . . . . 0.0 110.02 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.475 1.109 . . . . 0.0 111.001 -179.991 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.5 p 46.42 92.91 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 0.776 . . . . 0.0 110.016 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -179.92 146.52 0.25 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.102 . . . . 0.0 109.989 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -124.68 147.38 16.5 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.455 1.097 . . . . 0.0 110.996 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -154.81 164.23 39.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 0.762 . . . . 0.0 110.045 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.8 m -101.2 133.39 45.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 110.021 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.6 63.18 1.07 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.474 1.108 . . . . 0.0 110.974 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.445 ' N ' ' OD1' ' A' ' 10' ' ' ASP . 1.1 tp10 -134.83 -74.82 0.46 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 0.76 . . . . 0.0 110.311 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.543 ' HA ' ' CE2' ' A' ' 11' ' ' TYR . 4.1 pt-20 -38.7 -30.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 110.284 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.445 ' OD1' ' N ' ' A' ' 8' ' ' GLU . 8.2 p-10 -42.85 -28.34 0.24 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.626 ' CZ ' ' CB ' ' A' ' 82' ' ' LYS . 3.0 p90 -51.13 -20.57 1.54 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.157 . . . . 0.0 110.966 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.534 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 0.3 OUTLIER -100.34 -18.68 16.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 110.326 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.445 ' O ' HD11 ' A' ' 17' ' ' ILE . 0.7 OUTLIER -64.84 -11.05 33.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.143 . . . . 0.0 110.296 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.823 ' O ' HD12 ' A' ' 17' ' ' ILE . 34.0 m95 -85.79 -37.99 18.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 107.975 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.906 HD11 ' HD3' ' A' ' 76' ' ' LYS . 1.1 tp -57.72 -42.39 83.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -44.34 -39.84 4.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 110.273 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.823 HD12 ' O ' ' A' ' 14' ' ' TRP . 0.5 OUTLIER -113.82 94.85 3.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.272 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 27.9 mmtm -62.58 174.04 1.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.303 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.524 HG11 ' CA ' ' A' ' 72' ' ' TYR . 0.9 OUTLIER -91.05 148.46 4.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.485 ' HA ' ' C ' ' A' ' 21' ' ' PRO . 0.4 OUTLIER -99.41 158.51 32.08 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.977 -179.956 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.485 ' C ' ' HA ' ' A' ' 20' ' ' SER . 18.5 Cg_endo -74.95 174.47 52.48 Favored 'Cis proline' 0 C--N 1.36 1.148 0 C-N-CA 121.029 -2.488 . . . . 0.0 111.006 -0.013 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 4.08 5.03 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.453 1.765 . . . . 0.0 110.996 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.14 -18.42 60.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 110.256 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.417 ' O ' ' N ' ' A' ' 28' ' ' ARG . . . -73.72 -12.31 80.71 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.554 1.159 . . . . 0.0 110.989 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.88 -17.93 11.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 0.785 . . . . 0.0 109.297 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -84.16 -30.49 25.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.1 . . . . 0.0 110.299 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.709 ' O ' HG12 ' A' ' 30' ' ' VAL . 41.8 m -96.17 -20.86 18.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 110.408 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.564 ' HB2' ' CE2' ' A' ' 72' ' ' TYR . 0.0 OUTLIER -49.75 -23.48 1.83 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.309 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 84.2 mtt180 -75.43 -29.43 59.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.256 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.709 HG12 ' O ' ' A' ' 27' ' ' THR . 9.5 p -95.31 -13.71 8.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 109.277 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.535 HG21 ' HD2' ' A' ' 72' ' ' TYR . 99.1 mt -82.26 -47.55 18.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 109.267 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -50.9 -29.04 10.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.321 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.5 tptp -56.9 -52.23 65.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.328 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 1.005 ' CD1' HD11 ' A' ' 62' ' ' LEU . 0.2 OUTLIER -63.84 -53.5 49.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.925 ' HA ' HG12 ' A' ' 77' ' ' VAL . . . -45.63 -46.8 14.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.145 . . . . 0.0 109.302 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.49 ' O ' ' CG ' ' A' ' 40' ' ' GLU . 28.3 ttt85 -68.19 -28.78 67.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.28 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.457 ' N ' ' O ' ' A' ' 34' ' ' LEU . 13.8 t80 -77.7 -43.21 31.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 110.979 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.792 HG23 HD22 ' A' ' 34' ' ' LEU . 22.2 t -66.18 -75.57 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.824 ' HB3' HD12 ' A' ' 80' ' ' ILE . . . -38.95 -30.81 0.05 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.49 ' CG ' ' O ' ' A' ' 36' ' ' ARG . 2.0 mm-40 -58.2 -67.39 0.35 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.105 . . . . 0.0 110.306 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -85.39 -53.12 3.18 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.481 1.113 . . . . 0.0 111.06 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 38' ' ' VAL . . . 140.57 -139.41 9.69 Favored Glycine 0 CA--C 1.53 0.971 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -32.04 5.8 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.473 1.775 . . . . 0.0 111.01 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -53.03 -33.48 52.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.282 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.554 ' N ' ' CD2' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -71.57 -57.73 4.14 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.487 1.117 . . . . 0.0 109.331 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.39 -32.55 1.38 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 110.292 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.0 mttt -74.78 -55.56 5.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.274 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.406 ' O ' ' N ' ' A' ' 51' ' ' GLU . 55.9 t -56.59 -45.46 82.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.26 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -47.09 -54.01 11.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.163 . . . . 0.0 109.277 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.8 -19.74 2.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 110.991 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' A' ' 48' ' ' VAL . 4.0 tp10 -96.07 -44.58 7.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.294 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.445 ' CG ' ' CE1' ' A' ' 53' ' ' TYR . 47.1 t0 -56.56 -43.31 79.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 0.0 109.321 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.445 ' CE1' ' CG ' ' A' ' 52' ' ' ASP . 2.6 m-85 -113.03 34.74 4.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 111.024 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 6.1 tttt -49.81 -38.96 36.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 109.315 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -119.88 82.67 1.92 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.682 ' O ' HG22 ' A' ' 60' ' ' THR . 0.4 OUTLIER -134.04 122.77 16.5 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.494 ' C ' HG23 ' A' ' 60' ' ' THR . 18.4 Cg_endo -74.96 -14.89 21.11 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.487 1.783 . . . . 0.0 110.993 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -98.92 -49.9 4.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.51 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 1.7 m-85 -83.72 37.56 0.59 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 111.005 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.682 HG22 ' O ' ' A' ' 56' ' ' ASN . 80.7 p -70.6 -13.72 62.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 110.401 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.524 ' CE2' ' CD1' ' A' ' 62' ' ' LEU . 47.3 p90 -68.79 -15.1 63.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.154 . . . . 0.0 111.033 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 1.005 HD11 ' CD1' ' A' ' 34' ' ' LEU . 0.5 OUTLIER -62.93 -48.6 78.22 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.448 1.092 . . . . 0.0 109.289 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.458 ' NE2' ' HA ' ' A' ' 60' ' ' THR . 11.4 p80 -86.44 -25.07 25.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.591 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -71.01 95.91 1.24 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.336 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.595 ' HA ' ' CE2' ' A' ' 70' ' ' PHE . 0.0 OUTLIER -89.88 47.64 1.48 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.297 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.462 ' O ' ' ND2' ' A' ' 66' ' ' ASN . 1.5 p-10 175.83 40.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.34 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 52.9 p -111.22 177.3 4.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.033 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.453 ' O ' HG21 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -90.61 -18.43 25.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 110.298 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.423 ' CD ' ' HB3' ' A' ' 61' ' ' PHE . 1.4 pt-20 -96.02 -13.23 23.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 110.294 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.595 ' CE2' ' HA ' ' A' ' 65' ' ' LYS . 62.4 t80 -91.45 -24.59 19.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 111.005 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 43.9 mt -79.83 -53.72 6.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.248 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.564 ' CE2' ' HB2' ' A' ' 28' ' ' ARG . 41.2 t80 -53.69 -36.33 62.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 111.035 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 1.014 ' O ' HG13 ' A' ' 77' ' ' VAL . 0.1 OUTLIER -52.92 -44.41 66.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 110.998 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.466 ' O ' HG22 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -78.43 -11.97 59.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 110.289 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.503 ' O ' ' CD1' ' A' ' 15' ' ' LEU . 30.5 mmt-85 -87.19 -21.62 25.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.312 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.906 ' HD3' HD11 ' A' ' 15' ' ' LEU . 0.3 OUTLIER -91.12 -40.29 11.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.288 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 1.014 HG13 ' O ' ' A' ' 73' ' ' TYR . 5.2 m -50.85 -43.84 25.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -56.65 -44.25 81.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.514 ' HB2' HD22 ' A' ' 15' ' ' LEU . 20.4 tp10 -58.06 -60.82 3.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.46 1.1 . . . . 0.0 110.268 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.824 HD12 ' HB3' ' A' ' 39' ' ' ALA . 0.0 OUTLIER -62.58 -42.07 94.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.523 ' CG ' ' O ' ' A' ' 77' ' ' VAL . 5.5 mmm180 -38.42 -50.65 1.53 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.1 . . . . 0.0 110.3 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.626 ' CB ' ' CZ ' ' A' ' 11' ' ' TYR . 0.1 OUTLIER -41.49 124.33 2.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.312 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 5.0 t -178.9 -64.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 110.039 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -136.67 -159.68 8.43 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.498 1.124 . . . . 0.0 111.032 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 173.51 14.38 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.502 1.791 . . . . 0.0 110.978 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 5.4 t -172.81 128.8 0.5 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.013 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 8.3 t -178.64 133.88 0.14 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 109.985 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 O-C-N 124.481 1.113 . . . . 0.0 110.997 179.993 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.333 -0.247 . . . . 0.0 110.333 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.42 ' O ' ' N ' ' A' ' 13' ' ' GLN . 3.9 p30 -48.84 -24.21 1.36 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.142 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.572 ' CE2' ' HG3' ' A' ' 82' ' ' LYS . 0.9 OUTLIER -48.5 -31.29 6.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.098 . . . . 0.0 111.036 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.449 ' N ' ' CD1' ' A' ' 11' ' ' TYR . 6.2 pt-20 -88.66 -22.5 23.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.531 1.145 . . . . 0.0 110.296 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.42 ' N ' ' O ' ' A' ' 10' ' ' ASP . 0.2 OUTLIER -63.62 -11.71 27.38 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.49 1.119 . . . . 0.0 110.314 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 28.4 m95 -88.84 -43.67 11.05 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.577 HD11 ' HD3' ' A' ' 76' ' ' LYS . 0.7 OUTLIER -48.98 -24.65 1.58 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 109.305 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -63.99 -32.45 74.0 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.557 1.161 . . . . 0.0 110.248 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -110.39 94.82 3.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.466 1.104 . . . . 0.0 109.275 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.3 mmmm -81.34 171.55 14.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.269 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.654 HG11 ' N ' ' A' ' 72' ' ' TYR . 1.1 m -88.25 159.89 2.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.518 ' HA ' ' C ' ' A' ' 21' ' ' PRO . 55.2 p -110.51 150.55 41.83 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.132 . . . . 0.0 110.024 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.518 ' C ' ' HA ' ' A' ' 20' ' ' SER . 18.5 Cg_endo -74.93 174.41 52.75 Favored 'Cis proline' 0 C--N 1.36 1.141 0 C-N-CA 121.041 -2.483 . . . . 0.0 111.026 -0.043 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 4.26 4.9 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.477 1.777 . . . . 0.0 111.012 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -77.63 -14.53 59.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 110.278 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -56.36 -20.41 29.49 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.493 1.121 . . . . 0.0 110.995 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.01 -22.49 27.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 0.769 . . . . 0.0 109.359 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -69.37 -37.11 77.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 110.298 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.432 ' O ' ' N ' ' A' ' 30' ' ' VAL . 25.3 m -92.99 -15.04 26.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.397 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.419 ' HD2' ' N ' ' A' ' 29' ' ' ARG . 0.1 OUTLIER -45.14 -46.2 11.8 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.504 1.128 . . . . 0.0 110.294 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.419 ' N ' ' HD2' ' A' ' 28' ' ' ARG . 9.7 mtm-85 -53.83 -30.11 43.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 110.274 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.432 ' N ' ' O ' ' A' ' 27' ' ' THR . 42.3 t -91.3 -41.12 13.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.489 HG23 ' HB2' ' A' ' 73' ' ' TYR . 27.7 mt -58.27 -57.94 8.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 0.0 109.279 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -47.32 -30.15 2.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.308 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.4 tptt -62.58 -48.94 77.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.471 HD21 HD11 ' A' ' 62' ' ' LEU . 56.1 tp -58.79 -62.64 1.72 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.481 ' CB ' HG23 ' A' ' 77' ' ' VAL . . . -46.31 -55.88 6.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.275 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.435 ' O ' ' CB ' ' A' ' 40' ' ' GLU . 4.6 ttt180 -54.88 -23.61 19.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 110.268 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.524 ' O ' HD12 ' A' ' 45' ' ' LEU . 10.0 t80 -93.81 -21.22 19.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 111.01 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.441 ' N ' ' O ' ' A' ' 34' ' ' LEU . 27.0 t -92.79 -75.69 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.964 ' HB3' HD12 ' A' ' 80' ' ' ILE . . . -42.0 -27.85 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.241 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.438 ' N ' ' C ' ' A' ' 38' ' ' VAL . 3.8 tp10 -67.37 -62.31 1.48 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.099 . . . . 0.0 110.268 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -83.4 -59.54 2.12 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.558 1.161 . . . . 0.0 111.046 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 38' ' ' VAL . . . 148.95 -146.4 15.79 Favored Glycine 0 CA--C 1.53 0.975 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -30.77 6.92 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.478 1.778 . . . . 0.0 111.001 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -51.31 -36.29 41.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 110.296 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.541 ' CD2' ' N ' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -70.35 -53.54 16.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 0.0 109.328 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.32 -23.76 2.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 110.296 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -84.33 -38.76 19.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.273 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 47.1 t -73.43 -37.63 51.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.327 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -55.12 -42.36 72.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.298 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.691 ' HA ' HD23 ' A' ' 62' ' ' LEU . 20.5 mtt -58.93 -22.97 60.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.557 1.16 . . . . 0.0 111.054 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -93.78 -40.93 9.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 110.294 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -53.22 -46.6 69.16 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.803 ' CD2' ' CD2' ' A' ' 59' ' ' PHE . 0.6 OUTLIER -108.4 28.39 8.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 111.01 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -40.18 -46.27 2.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -116.99 73.98 0.89 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.413 ' OD1' ' HB3' ' A' ' 58' ' ' ALA . 1.2 t-20 -135.13 119.15 13.29 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.257 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.572 ' C ' HG23 ' A' ' 60' ' ' THR . 18.4 Cg_endo -75.03 0.09 9.35 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.513 1.796 . . . . 0.0 111.021 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.413 ' HB3' ' OD1' ' A' ' 56' ' ' ASN . . . -99.74 -45.46 5.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.287 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.803 ' CD2' ' CD2' ' A' ' 53' ' ' TYR . 0.9 OUTLIER -88.01 29.3 0.95 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 110.979 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.572 HG23 ' C ' ' A' ' 57' ' ' PRO . 61.1 p -63.53 -12.72 34.61 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.145 . . . . 0.0 110.315 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.541 ' CE1' ' HA ' ' A' ' 59' ' ' PHE . 39.5 p90 -74.14 -37.72 63.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 111.035 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.691 HD23 ' HA ' ' A' ' 50' ' ' MET . 2.4 tp -40.19 -71.45 0.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.473 ' CD2' ' H ' ' A' ' 63' ' ' HIS . 5.1 m-70 -47.88 -72.03 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.557 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 63' ' ' HIS . 11.4 m-20 -40.35 150.29 0.06 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.425 ' HE2' ' CE2' ' A' ' 70' ' ' PHE . 2.7 mtpt -130.41 37.26 3.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.261 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -160.01 35.79 0.18 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 0.0 109.276 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.8 t -114.98 132.22 56.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 110.036 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.662 ' HA ' HD12 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -44.63 -31.78 1.26 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 110.332 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.46 ' N ' ' HG2' ' A' ' 68' ' ' ARG . 0.5 OUTLIER -63.15 -44.54 95.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 110.317 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.425 ' CE2' ' HE2' ' A' ' 65' ' ' LYS . 64.2 t80 -66.36 -16.37 64.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.098 . . . . 0.0 111.021 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.662 HD12 ' HA ' ' A' ' 68' ' ' ARG . 28.1 mt -86.75 -53.74 4.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.654 ' N ' HG11 ' A' ' 19' ' ' VAL . 52.6 t80 -55.84 -33.61 64.66 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.513 1.133 . . . . 0.0 111.01 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.489 ' HB2' HG23 ' A' ' 31' ' ' ILE . 0.9 OUTLIER -64.58 -31.98 73.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 111.011 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.58 -34.92 25.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.284 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.496 ' O ' ' CD1' ' A' ' 15' ' ' LEU . 13.1 mmt180 -63.09 -27.79 69.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 110.327 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.577 ' HD3' HD11 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -89.7 -37.7 14.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.368 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.481 HG23 ' CB ' ' A' ' 35' ' ' ALA . 1.5 t -48.89 -40.75 12.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.343 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.61 -29.77 69.43 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.457 1.098 . . . . 0.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 76' ' ' LYS . 1.2 tm-20 -72.49 -61.6 1.74 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.562 1.164 . . . . 0.0 110.311 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.964 HD12 ' HB3' ' A' ' 39' ' ' ALA . 0.0 OUTLIER -60.21 -35.48 62.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.461 1.1 . . . . 0.0 109.29 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.535 ' HG2' ' HB1' ' A' ' 39' ' ' ALA . 9.1 mmm180 -49.39 -60.69 2.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 110.325 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.572 ' HG3' ' CE2' ' A' ' 11' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.423 1.077 . . . . 0.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.338 -0.245 . . . . 0.0 110.338 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.419 ' O ' ' N ' ' A' ' 13' ' ' GLN . 0.7 OUTLIER -43.01 -32.43 0.65 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.336 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.58 ' CD1' ' C ' ' A' ' 11' ' ' TYR . 1.3 p90 -49.73 -21.56 1.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 111.022 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -100.64 -20.81 15.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.282 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.422 ' O ' HD11 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -64.19 -11.41 30.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.258 -179.956 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.747 ' O ' HD12 ' A' ' 17' ' ' ILE . 36.3 m95 -88.51 -31.9 18.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 107.957 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.652 HD22 ' CD ' ' A' ' 79' ' ' GLU . 0.9 OUTLIER -60.62 -31.48 70.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -54.56 -30.45 54.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.098 . . . . 0.0 110.342 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.747 HD12 ' O ' ' A' ' 14' ' ' TRP . 0.1 OUTLIER -112.33 94.98 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.267 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.94 173.18 3.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 109.293 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.612 HG21 ' CA ' ' A' ' 72' ' ' TYR . 78.9 t -97.21 141.03 16.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.269 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.518 ' HA ' ' C ' ' A' ' 21' ' ' PRO . 78.3 p -97.29 150.1 36.44 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.012 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.518 ' C ' ' HA ' ' A' ' 20' ' ' SER . 18.4 Cg_endo -75.01 174.32 53.34 Favored 'Cis proline' 0 C--N 1.36 1.141 0 C-N-CA 120.99 -2.504 . . . . 0.0 111.022 -0.022 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 4.4 4.76 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.423 1.749 . . . . 0.0 110.962 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -74.72 -31.32 61.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.438 1.086 . . . . 0.0 110.303 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -63.35 -13.67 50.79 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.541 1.151 . . . . 0.0 110.98 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.423 ' O ' ' CG ' ' A' ' 28' ' ' ARG . . . -53.49 -55.55 24.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 0.781 . . . . 0.0 109.343 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -57.88 -28.06 63.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 110.274 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 9.4 m -80.49 -15.04 57.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 110.402 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.426 ' CD ' ' CD ' ' A' ' 32' ' ' GLU . 0.5 OUTLIER -48.94 -29.88 5.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.274 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.412 ' N ' ' HG3' ' A' ' 28' ' ' ARG . 0.1 OUTLIER -64.78 -26.59 68.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 0.0 110.282 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 47.6 t -95.13 -21.41 5.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 109.269 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.551 HG21 ' HD2' ' A' ' 72' ' ' TYR . 38.6 mt -85.52 -55.83 6.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.426 ' CD ' ' CD ' ' A' ' 28' ' ' ARG . 88.5 mt-10 -42.24 -39.32 2.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 110.283 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.8 tppt? -58.61 -48.14 81.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.271 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.794 HD11 ' CD1' ' A' ' 62' ' ' LEU . 0.6 OUTLIER -52.83 -46.21 67.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 0.0 109.328 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.512 ' HB2' HG23 ' A' ' 77' ' ' VAL . . . -70.49 -61.05 1.92 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.161 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.494 ' O ' ' CG ' ' A' ' 40' ' ' GLU . 1.6 ttt85 -46.03 -27.3 0.9 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.282 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 18.0 t80 -88.55 -46.71 8.87 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 111.016 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.554 HG11 ' OH ' ' A' ' 73' ' ' TYR . 5.1 t -69.02 -72.01 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.896 ' HB3' HD12 ' A' ' 80' ' ' ILE . . . -39.24 -31.82 0.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.494 ' CG ' ' O ' ' A' ' 36' ' ' ARG . 5.7 mm-40 -62.91 -66.09 0.59 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 110.303 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -77.97 -66.65 1.73 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.526 1.141 . . . . 0.0 110.984 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 155.77 -144.29 10.76 Favored Glycine 0 CA--C 1.531 1.041 0 N-CA-C 110.956 -0.857 . . . . 0.0 110.956 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -33.43 4.6 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.5 1.79 . . . . 0.0 111.033 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.662 ' O ' HG23 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -51.44 -29.07 14.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.337 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.566 ' CD2' ' N ' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -77.69 -38.74 46.77 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.49 -40.58 95.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 110.314 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.4 mttt -68.94 -40.68 78.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.662 HG23 ' O ' ' A' ' 44' ' ' GLU . 70.0 t -70.32 -35.87 64.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.122 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -55.25 -43.53 74.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 6.4 mtt -65.9 -12.57 55.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 110.97 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -93.9 -42.13 9.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.337 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 39.0 t0 -66.18 -38.81 88.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.277 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.793 ' CD2' ' CD2' ' A' ' 59' ' ' PHE . 4.7 m-85 -107.53 29.14 7.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.989 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -44.78 -57.4 3.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.095 . . . . 0.0 109.332 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -114.93 82.2 1.69 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.44 1.088 . . . . 0.0 109.281 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.441 ' OD1' ' HB3' ' A' ' 58' ' ' ALA . 1.2 t-20 -135.08 120.09 13.82 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.586 ' C ' HG23 ' A' ' 60' ' ' THR . 18.3 Cg_endo -75.0 -1.4 11.18 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.531 1.806 . . . . 0.0 110.994 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.441 ' HB3' ' OD1' ' A' ' 56' ' ' ASN . . . -99.6 -46.01 5.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.443 1.089 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.793 ' CD2' ' CD2' ' A' ' 53' ' ' TYR . 0.8 OUTLIER -87.93 28.47 1.03 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 111.013 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.586 HG23 ' C ' ' A' ' 57' ' ' PRO . 60.3 p -60.99 -13.68 17.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.16 . . . . 0.0 110.406 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.643 ' HZ ' HD12 ' A' ' 34' ' ' LEU . 40.0 p90 -73.81 -36.74 65.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 111.01 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.794 ' CD1' HD11 ' A' ' 34' ' ' LEU . 4.2 tp -46.7 -71.88 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 109.28 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.496 ' H ' ' CD2' ' A' ' 63' ' ' HIS . 4.0 m-70 -50.92 -60.46 3.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.565 1.165 . . . . 0.0 109.625 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.99 75.36 0.92 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.346 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.543 ' HG2' ' CE1' ' A' ' 70' ' ' PHE . 26.2 mtpt -44.7 -41.25 6.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 109.288 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -88.37 54.05 2.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 109.324 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 8.4 p -100.68 -81.46 0.47 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 110.046 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.486 ' HG2' ' N ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER 174.68 -30.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 110.272 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.486 ' N ' ' HG2' ' A' ' 68' ' ' ARG . 0.4 OUTLIER -88.96 -32.54 17.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.3 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.543 ' CE1' ' HG2' ' A' ' 65' ' ' LYS . 58.4 t80 -63.08 -29.93 71.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 110.945 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.651 HD22 ' N ' ' A' ' 71' ' ' LEU . 1.3 mm? -72.88 -51.62 17.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.612 ' CA ' HG21 ' A' ' 19' ' ' VAL . 91.7 t80 -57.81 -35.4 70.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.097 . . . . 0.0 111.026 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.554 ' OH ' HG11 ' A' ' 38' ' ' VAL . 2.3 t80 -61.08 -45.45 94.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 111.036 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.33 -29.91 70.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.1 . . . . 0.0 110.255 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 44.3 mmt-85 -67.49 -46.48 72.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 110.301 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.465 ' O ' HG22 ' A' ' 80' ' ' ILE . 0.0 OUTLIER -73.27 -37.75 66.19 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.56 1.163 . . . . 0.0 109.285 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.512 HG23 ' HB2' ' A' ' 35' ' ' ALA . 2.0 t -49.38 -40.56 14.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.133 . . . . 0.0 109.285 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -68.97 -28.36 66.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.652 ' CD ' HD22 ' A' ' 15' ' ' LEU . 18.5 tp10 -75.97 -54.37 6.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.34 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.896 HD12 ' HB3' ' A' ' 39' ' ' ALA . 0.0 OUTLIER -65.95 -40.03 86.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.323 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.494 ' CG ' ' O ' ' A' ' 77' ' ' VAL . 2.7 mmm180 -44.67 -68.51 0.19 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 110.315 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.571 ' HG3' ' CD2' ' A' ' 11' ' ' TYR . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.5 ' O ' ' CG ' ' A' ' 12' ' ' GLU . 13.8 mt-10 . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.491 ' O ' ' N ' ' A' ' 13' ' ' GLN . 36.7 m-20 -40.99 -55.35 2.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.319 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.577 ' CE1' ' HB3' ' A' ' 12' ' ' GLU . 0.2 OUTLIER -38.08 -29.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 111.029 179.948 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.577 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 2.9 pt-20 -109.28 -23.66 11.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 110.3 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.491 ' N ' ' O ' ' A' ' 10' ' ' ASP . 0.0 OUTLIER -74.26 -15.07 60.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 110.271 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.618 ' O ' HD12 ' A' ' 17' ' ' ILE . 24.5 m95 -85.01 -24.34 28.26 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.452 ' HA ' HD12 ' A' ' 15' ' ' LEU . 1.3 tp -66.33 -29.08 69.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -55.49 -33.08 63.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 110.286 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.618 HD12 ' O ' ' A' ' 14' ' ' TRP . 0.1 OUTLIER -104.72 94.81 3.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.99 170.55 9.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.461 HG11 ' HB2' ' A' ' 71' ' ' LEU . 25.5 t -102.16 119.0 49.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.563 1.165 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.506 ' HA ' ' C ' ' A' ' 21' ' ' PRO . 3.6 p -71.5 150.54 93.8 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 110.01 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.506 ' C ' ' HA ' ' A' ' 20' ' ' SER . 18.3 Cg_endo -75.03 174.41 52.83 Favored 'Cis proline' 0 C--N 1.36 1.15 0 C-N-CA 121.015 -2.494 . . . . 0.0 110.989 0.024 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 4.32 4.85 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.513 1.796 . . . . 0.0 110.977 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -74.11 -19.14 60.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.342 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -57.48 -17.84 27.61 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.466 1.104 . . . . 0.0 111.021 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -47.21 -30.15 2.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 0.749 . . . . 0.0 109.338 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -85.71 -63.09 1.38 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.295 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.814 ' O ' HG12 ' A' ' 30' ' ' VAL . 17.8 m -49.34 -23.35 1.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.395 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.3 tmm_? -47.13 -26.41 1.11 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 0.0 110.317 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 93.7 mtt180 -71.67 -37.16 70.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.448 1.092 . . . . 0.0 110.298 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.814 HG12 ' O ' ' A' ' 27' ' ' THR . 11.9 p -82.76 -13.96 12.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.451 ' CG2' ' HA ' ' A' ' 73' ' ' TYR . 19.7 mt -93.53 -52.74 9.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.127 . . . . 0.0 109.234 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -48.81 -35.35 14.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 110.322 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.0 mmtp -65.22 -45.51 84.43 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.488 1.117 . . . . 0.0 109.298 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.966 HD11 HD21 ' A' ' 62' ' ' LEU . 0.2 OUTLIER -64.27 -47.18 80.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.416 ' HB1' HG22 ' A' ' 77' ' ' VAL . . . -65.41 -47.61 75.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.434 ' O ' ' CB ' ' A' ' 40' ' ' GLU . 0.8 OUTLIER -55.29 -42.69 73.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.282 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.418 ' CZ ' ' CD1' ' A' ' 45' ' ' LEU . 34.9 t80 -73.26 -33.01 65.03 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.536 1.147 . . . . 0.0 110.994 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.6 HG12 ' N ' ' A' ' 39' ' ' ALA . 2.5 t -73.25 -76.02 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.276 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.774 ' HB3' HD12 ' A' ' 80' ' ' ILE . . . -42.03 -28.53 0.18 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.44 ' N ' ' C ' ' A' ' 38' ' ' VAL . 2.9 tp10 -59.89 -57.86 11.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.11 . . . . 0.0 110.267 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.403 ' N ' ' HG3' ' A' ' 40' ' ' GLU . . . -91.24 -50.08 2.89 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.542 1.151 . . . . 0.0 111.01 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 38' ' ' VAL . . . 140.85 -148.05 19.69 Favored Glycine 0 CA--C 1.531 1.058 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -25.75 11.51 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.544 1.813 . . . . 0.0 110.952 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.797 ' O ' HG23 ' A' ' 48' ' ' VAL . 1.5 tm-20 -56.31 -32.68 64.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.297 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.564 ' CD2' ' N ' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -74.82 -48.66 24.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.092 . . . . 0.0 109.302 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.495 ' O ' ' HB3' ' A' ' 49' ' ' ALA . 54.7 tt0 -49.66 -52.9 27.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.28 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.7 mtmt -59.8 -56.21 24.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 109.327 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.797 HG23 ' O ' ' A' ' 44' ' ' GLU . 76.3 t -50.73 -44.7 26.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.112 . . . . 0.0 109.32 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.495 ' HB3' ' O ' ' A' ' 46' ' ' GLU . . . -44.54 -57.91 3.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.328 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 5.0 mtt -46.26 -23.85 0.4 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 111.033 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -97.82 -54.49 3.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.093 . . . . 0.0 110.346 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.532 ' HB3' ' CD1' ' A' ' 53' ' ' TYR . 1.1 m-20 -48.88 -40.06 28.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.113 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.565 ' N ' ' CD1' ' A' ' 53' ' ' TYR . 1.3 m-30 -103.21 28.17 6.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 111.038 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.457 ' C ' ' O ' ' A' ' 53' ' ' TYR . 0.5 OUTLIER -36.33 -40.4 0.23 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.262 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -106.47 77.12 1.18 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 109.314 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.62 ' O ' HG22 ' A' ' 60' ' ' THR . 0.2 OUTLIER -104.09 119.65 53.55 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.098 . . . . 0.0 109.284 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.469 ' O ' HG23 ' A' ' 60' ' ' THR . 18.3 Cg_endo -75.04 -58.74 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.486 1.782 . . . . 0.0 111.015 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -99.54 -14.77 18.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 0.0 109.26 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.57 ' CD1' ' CE1' ' A' ' 61' ' ' PHE . 0.2 OUTLIER -87.91 29.72 0.9 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 111.004 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.62 HG22 ' O ' ' A' ' 56' ' ' ASN . 74.4 p -77.48 -16.92 58.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.575 1.172 . . . . 0.0 110.406 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.604 ' CZ ' HD12 ' A' ' 34' ' ' LEU . 46.7 p90 -57.34 -22.66 43.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.145 . . . . 0.0 110.965 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.966 HD21 HD11 ' A' ' 34' ' ' LEU . 8.0 mt -55.24 -65.35 0.6 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 10.3 m-70 -53.03 -70.62 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.565 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.403 ' O ' ' O ' ' A' ' 61' ' ' PHE . 1.0 OUTLIER -59.28 110.45 1.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.285 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.568 ' HG3' ' CZ ' ' A' ' 70' ' ' PHE . 0.0 OUTLIER -67.8 -66.76 0.52 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 109.295 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -70.15 67.37 0.3 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.12 . . . . 0.0 109.335 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.408 ' N ' ' O ' ' A' ' 65' ' ' LYS . 30.4 t -110.11 -86.01 0.54 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.989 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.478 ' HG2' ' N ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER 174.21 -30.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.332 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.523 ' HB3' ' CG ' ' A' ' 61' ' ' PHE . 0.5 OUTLIER -91.79 -12.26 34.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 110.285 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.568 ' CZ ' ' HG3' ' A' ' 65' ' ' LYS . 47.9 t80 -91.57 -22.2 20.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 111.013 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.634 HD12 ' N ' ' A' ' 71' ' ' LEU . 2.9 mp -74.16 -53.38 9.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 109.258 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.445 ' N ' HG21 ' A' ' 19' ' ' VAL . 64.2 t80 -63.72 -36.53 84.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 111.012 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.543 ' OH ' HG11 ' A' ' 38' ' ' VAL . 7.8 t80 -50.92 -62.35 1.67 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 110.942 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.56 -40.59 62.74 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.119 . . . . 0.0 110.265 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 48.6 mmt-85 -58.34 -61.91 2.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.305 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.445 ' O ' ' N ' ' A' ' 79' ' ' GLU . 3.1 mmtt -59.44 -37.33 77.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.528 HG23 ' O ' ' A' ' 73' ' ' TYR . 2.7 t -48.7 -38.99 10.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.277 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.466 ' HB1' ' HA ' ' A' ' 11' ' ' TYR . . . -68.13 -31.95 71.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 76' ' ' LYS . 14.2 tp10 -70.8 -58.51 3.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.345 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.774 HD12 ' HB3' ' A' ' 39' ' ' ALA . 0.0 OUTLIER -59.72 -40.18 81.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 109.328 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 7.1 mmm-85 -43.0 -61.46 1.29 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.288 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.441 ' HA ' ' CD2' ' A' ' 11' ' ' TYR . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.463 ' O ' ' N ' ' A' ' 13' ' ' GLN . 5.2 m-20 -40.58 -34.05 0.33 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 109.317 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.575 ' HA ' ' HB1' ' A' ' 78' ' ' ALA . 1.9 p90 -42.67 -24.31 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.972 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.57 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 2.6 pt-20 -106.08 -27.13 11.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.1 . . . . 0.0 110.312 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.463 ' N ' ' O ' ' A' ' 10' ' ' ASP . 3.7 pt20 -64.58 -16.91 63.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 110.314 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.486 ' O ' HD12 ' A' ' 17' ' ' ILE . 26.1 m95 -85.52 -32.7 22.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 108.023 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.45 HD12 ' HA ' ' A' ' 15' ' ' LEU . 0.8 OUTLIER -55.44 -19.31 8.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.153 . . . . 0.0 109.307 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -68.32 -36.94 80.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.115 . . . . 0.0 110.307 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.637 ' H ' HD12 ' A' ' 17' ' ' ILE . 0.1 OUTLIER -109.65 95.05 3.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.28 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.0 mmtm -68.15 -179.68 1.32 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.546 HG11 ' HB2' ' A' ' 71' ' ' LEU . 56.0 t -109.0 140.32 28.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.332 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.498 ' CB ' ' HA ' ' A' ' 21' ' ' PRO . 0.6 OUTLIER -97.49 160.36 28.95 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.426 1.079 . . . . 0.0 109.991 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.498 ' HA ' ' CB ' ' A' ' 20' ' ' SER . 18.2 Cg_endo -75.04 174.49 52.42 Favored 'Cis proline' 0 C--N 1.36 1.163 0 C-N-CA 121.0 -2.5 . . . . 0.0 111.006 0.022 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 4.18 4.95 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.514 1.797 . . . . 0.0 110.972 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -73.53 -37.85 65.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.277 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.418 ' O ' ' N ' ' A' ' 27' ' ' THR . . . -55.98 -16.8 14.08 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.485 1.116 . . . . 0.0 110.991 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -44.22 -51.4 8.26 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 0.757 . . . . 0.0 109.33 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -69.25 -28.6 66.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 110.309 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.418 ' N ' ' O ' ' A' ' 24' ' ' GLY . 88.3 m -75.39 -14.91 60.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.389 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.44 ' O ' ' N ' ' A' ' 32' ' ' GLU . 0.0 OUTLIER -48.02 -33.73 8.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 110.304 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.45 -28.91 69.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.556 1.16 . . . . 0.0 110.318 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 95.9 t -94.46 -28.17 4.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.44 1.087 . . . . 0.0 109.285 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.679 HG23 ' HB2' ' A' ' 73' ' ' TYR . 30.6 mt -79.02 -65.74 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -40.79 -37.59 0.79 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.323 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.8 mmmt -56.38 -49.66 73.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 109.273 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.465 HD21 HD11 ' A' ' 62' ' ' LEU . 33.4 tp -60.03 -19.79 54.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' A' ' 32' ' ' GLU . . . -89.34 -57.02 3.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.273 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.471 ' O ' ' CG ' ' A' ' 40' ' ' GLU . 18.9 ttt-85 -56.92 -18.88 15.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 110.267 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 53.0 t80 -92.96 -42.64 9.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 111.011 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.435 HG12 ' N ' ' A' ' 39' ' ' ALA . 6.8 t -73.84 -73.61 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.285 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.848 ' HB3' HD12 ' A' ' 80' ' ' ILE . . . -39.2 -32.74 0.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.471 ' CG ' ' O ' ' A' ' 36' ' ' ARG . 3.8 mm-40 -57.52 -66.33 0.48 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.44 1.087 . . . . 0.0 110.269 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -75.91 -61.11 2.96 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.452 1.095 . . . . 0.0 111.03 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 152.56 -145.05 12.24 Favored Glycine 0 CA--C 1.53 0.986 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.476 ' O ' ' N ' ' A' ' 46' ' ' GLU . 18.1 Cg_endo -75.04 -36.09 2.73 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.505 1.792 . . . . 0.0 110.972 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -50.2 -31.55 14.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 110.303 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.571 ' CD2' ' N ' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -72.57 -27.03 61.94 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 0.0 109.293 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.476 ' N ' ' O ' ' A' ' 43' ' ' PRO . 61.7 tt0 -80.01 -25.52 40.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 0.0 110.272 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.534 ' N ' ' CD ' ' A' ' 47' ' ' LYS . 0.1 OUTLIER -82.71 -29.65 29.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 109.277 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 41.0 t -83.01 -36.28 12.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.095 . . . . 0.0 109.335 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.82 -43.01 90.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.434 1.084 . . . . 0.0 109.275 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.33 -20.53 55.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 110.961 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -97.78 -50.37 4.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.275 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -48.5 -46.32 38.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.497 ' CD2' ' CD2' ' A' ' 59' ' ' PHE . 2.5 m-85 -104.17 28.64 6.62 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.143 . . . . 0.0 111.051 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -46.43 -44.99 17.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -120.62 82.01 1.85 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.318 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -135.07 119.59 13.57 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.523 1.14 . . . . 0.0 109.268 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.552 ' C ' HG23 ' A' ' 60' ' ' THR . 18.4 Cg_endo -74.98 -4.06 14.85 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.503 1.791 . . . . 0.0 111.033 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -100.04 -49.44 4.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 0.0 109.283 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.561 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 2.1 m-85 -86.88 32.29 0.67 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.101 . . . . 0.0 111.006 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.552 HG23 ' C ' ' A' ' 57' ' ' PRO . 59.6 p -64.14 -11.93 35.06 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.129 . . . . 0.0 110.369 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.561 ' CE1' ' HA ' ' A' ' 59' ' ' PHE . 45.2 p90 -73.3 -27.8 61.74 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 110.97 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.465 HD11 HD21 ' A' ' 34' ' ' LEU . 0.6 OUTLIER -39.65 -70.6 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -74.49 58.6 0.77 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.133 . . . . 0.0 109.58 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -165.13 107.22 0.81 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.344 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.581 ' HA ' ' CD2' ' A' ' 70' ' ' PHE . 3.7 mtpt -101.01 36.99 1.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 109.26 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 28.2 m-80 -173.15 47.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 13.5 t -111.49 -83.85 0.57 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.987 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.463 ' HG2' ' N ' ' A' ' 69' ' ' GLU . 0.1 OUTLIER 174.46 -30.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 110.356 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.526 ' HB3' ' CG ' ' A' ' 61' ' ' PHE . 1.0 OUTLIER -87.61 -15.55 37.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 110.323 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.581 ' CD2' ' HA ' ' A' ' 65' ' ' LYS . 78.1 t80 -93.17 -31.6 14.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 110.98 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.614 HD12 ' N ' ' A' ' 71' ' ' LEU . 2.8 mp -71.82 -51.82 20.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.413 ' N ' HG21 ' A' ' 19' ' ' VAL . 53.1 t80 -60.18 -33.78 72.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 111.01 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.679 ' HB2' HG23 ' A' ' 31' ' ' ILE . 0.4 OUTLIER -64.24 -55.3 22.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 111.002 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -59.39 -25.41 64.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 110.354 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -66.48 -78.87 0.05 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.559 1.162 . . . . 0.0 110.317 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.48 ' O ' HG22 ' A' ' 80' ' ' ILE . 0.0 OUTLIER -44.32 -34.09 1.83 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.091 . . . . 0.0 109.305 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.587 HG23 ' O ' ' A' ' 73' ' ' TYR . 2.2 t -46.39 -42.87 5.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.575 ' HB1' ' HA ' ' A' ' 11' ' ' TYR . . . -62.58 -35.85 80.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.46 1.1 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 76' ' ' LYS . 5.8 tp10 -68.84 -58.79 3.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 110.314 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.848 HD12 ' HB3' ' A' ' 39' ' ' ALA . 0.0 OUTLIER -60.61 -39.87 82.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.27 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.405 ' HG2' ' CB ' ' A' ' 39' ' ' ALA . 4.4 mmm180 -46.08 -60.76 2.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 110.269 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.552 ' CD ' ' CD2' ' A' ' 11' ' ' TYR . 1.0 OUTLIER . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.474 ' CA ' ' HG2' ' A' ' 13' ' ' GLN . 15.7 m-20 -50.98 -30.67 15.66 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.532 1.145 . . . . 0.0 109.284 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.516 ' CE1' ' HB2' ' A' ' 12' ' ' GLU . 2.6 p90 -40.76 -25.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.57 1.169 . . . . 0.0 110.999 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.516 ' HB2' ' CE1' ' A' ' 11' ' ' TYR . 19.5 tt0 -106.94 -27.22 10.82 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.116 . . . . 0.0 110.32 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.474 ' HG2' ' CA ' ' A' ' 10' ' ' ASP . 4.2 pt20 -63.5 -11.81 26.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 110.284 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 21.7 m95 -88.63 -18.51 27.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 107.985 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.584 HD11 ' CD ' ' A' ' 76' ' ' LYS . 1.1 tp -72.98 -30.29 63.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -53.6 -37.06 62.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.269 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.568 ' H ' HD12 ' A' ' 17' ' ' ILE . 0.1 OUTLIER -100.34 94.8 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.281 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.6 157.44 32.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.436 ' CG2' ' HG3' ' A' ' 75' ' ' ARG . 54.4 t -87.17 116.36 29.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.329 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.516 ' HA ' ' C ' ' A' ' 21' ' ' PRO . 5.1 p -72.51 150.73 91.5 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.101 . . . . 0.0 109.992 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.516 ' C ' ' HA ' ' A' ' 20' ' ' SER . 18.3 Cg_endo -75.0 174.37 53.04 Favored 'Cis proline' 0 C--N 1.36 1.135 0 C-N-CA 121.01 -2.496 . . . . 0.0 110.983 0.028 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 4.39 4.79 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.526 1.803 . . . . 0.0 110.962 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -69.21 -31.57 70.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 110.291 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -58.12 -15.4 21.83 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.493 1.121 . . . . 0.0 111.017 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -41.96 -35.87 0.97 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 0.756 . . . . 0.0 109.307 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.401 ' C ' ' N ' ' A' ' 28' ' ' ARG . 1.2 tp10 -78.96 -62.39 1.71 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 110.295 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.658 ' O ' HG12 ' A' ' 30' ' ' VAL . 7.0 m -44.75 -25.62 0.31 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 110.429 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.444 ' C ' ' CD ' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -47.23 -26.44 1.19 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 110.291 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.4 mtt180 -75.12 -35.19 61.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.437 1.086 . . . . 0.0 110.299 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.706 HG22 ' HE1' ' A' ' 59' ' ' PHE . 5.3 p -86.85 -21.53 7.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.437 HD12 ' HD2' ' A' ' 72' ' ' TYR . 25.7 mt -77.77 -55.68 9.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.486 ' O ' ' CB ' ' A' ' 36' ' ' ARG . 72.2 mt-10 -43.77 -26.1 0.23 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 110.288 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.7 mmtp -66.77 -48.67 68.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.739 HD11 HD11 ' A' ' 62' ' ' LEU . 1.5 tt -55.29 -51.63 66.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 38' ' ' VAL . . . -67.51 -58.85 3.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 109.299 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.486 ' CB ' ' O ' ' A' ' 32' ' ' GLU . 33.6 ttm180 -46.74 -26.29 0.91 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.335 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.556 ' O ' HD12 ' A' ' 45' ' ' LEU . 38.1 t80 -93.82 -26.31 16.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.978 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.515 HG12 ' N ' ' A' ' 39' ' ' ALA . 3.4 t -87.86 -74.9 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.107 . . . . 0.0 109.267 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.81 ' HB3' HD12 ' A' ' 80' ' ' ILE . . . -41.21 -28.49 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.439 ' N ' ' C ' ' A' ' 38' ' ' VAL . 1.1 tt0 -66.94 -57.01 7.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 110.281 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -84.97 -59.18 2.0 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.477 1.111 . . . . 0.0 110.994 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 38' ' ' VAL . . . 147.76 -146.95 17.21 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 111.049 -0.821 . . . . 0.0 111.049 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -33.77 4.31 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.487 1.783 . . . . 0.0 110.961 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.411 ' O ' HG23 ' A' ' 48' ' ' VAL . 0.3 OUTLIER -50.15 -32.14 15.34 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.473 1.108 . . . . 0.0 110.34 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.556 HD12 ' O ' ' A' ' 37' ' ' PHE . 0.1 OUTLIER -73.17 -58.89 2.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.298 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -44.21 -26.35 0.31 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 110.353 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.13 -45.14 15.56 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.427 ' N ' ' O ' ' A' ' 45' ' ' LEU . 52.2 t -67.87 -38.34 79.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.06 -49.57 75.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.09 . . . . 0.0 109.301 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.49 ' HA ' HD23 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -51.23 -23.58 3.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 111.028 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -99.15 -51.73 3.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.318 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.551 ' HB3' ' CD1' ' A' ' 53' ' ' TYR . 4.2 t0 -43.54 -47.73 7.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.296 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.551 ' CD1' ' HB3' ' A' ' 52' ' ' ASP . 0.9 OUTLIER -100.4 27.78 5.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.972 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -49.08 -37.01 19.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.321 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -116.34 81.19 1.57 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.265 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.643 ' O ' HG22 ' A' ' 60' ' ' THR . 0.8 OUTLIER -135.05 119.36 13.48 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.118 . . . . 0.0 109.351 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.544 ' C ' HG23 ' A' ' 60' ' ' THR . 18.2 Cg_endo -75.01 -17.67 19.34 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.505 1.792 . . . . 0.0 110.968 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -96.95 -45.79 6.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.307 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.706 ' HE1' HG22 ' A' ' 30' ' ' VAL . 0.7 OUTLIER -85.54 36.63 0.66 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.992 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.643 HG22 ' O ' ' A' ' 56' ' ' ASN . 67.4 p -71.55 -11.86 61.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 110.38 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.527 ' CG ' ' HB3' ' A' ' 69' ' ' GLU . 45.5 p90 -71.43 -23.12 61.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 110.979 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.739 HD11 HD11 ' A' ' 34' ' ' LEU . 0.7 OUTLIER -43.93 -71.27 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 109.303 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 -47.1 -60.87 2.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.612 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -54.28 157.34 2.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 109.325 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.591 ' HA ' ' CD2' ' A' ' 70' ' ' PHE . 32.0 mttt -141.06 55.92 1.56 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -174.23 37.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 5.9 t -116.16 158.96 22.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 109.979 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.94 -15.66 63.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.3 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.527 ' HB3' ' CG ' ' A' ' 61' ' ' PHE . 4.4 tt0 -87.8 -45.6 10.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.286 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.591 ' CD2' ' HA ' ' A' ' 65' ' ' LYS . 73.0 t80 -71.61 -21.63 61.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 111.026 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 46.1 mt -83.12 -62.81 1.49 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.28 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.437 ' HD2' HD12 ' A' ' 31' ' ' ILE . 55.1 t80 -49.57 -28.11 5.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 110.98 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.681 ' O ' HG23 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -58.89 -54.46 46.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 111.046 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 5.0 mtm180 -68.26 -32.33 72.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.431 1.082 . . . . 0.0 110.266 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.436 ' HG3' ' CG2' ' A' ' 19' ' ' VAL . 23.7 mmt85 -61.27 -44.27 97.51 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.133 . . . . 0.0 110.296 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.584 ' CD ' HD11 ' A' ' 15' ' ' LEU . 5.2 mmmt -77.3 -32.15 55.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.681 HG23 ' O ' ' A' ' 73' ' ' TYR . 2.7 t -47.67 -39.66 7.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.409 ' HB1' ' HA ' ' A' ' 11' ' ' TYR . . . -66.12 -34.05 77.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.514 ' HB2' HD22 ' A' ' 15' ' ' LEU . 23.4 tp10 -69.41 -56.8 6.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 110.315 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.81 HD12 ' HB3' ' A' ' 39' ' ' ALA . 0.0 OUTLIER -64.56 -39.85 87.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 109.287 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.462 ' CG ' ' O ' ' A' ' 77' ' ' VAL . 2.8 mmm180 -43.55 -58.59 2.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 110.306 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.46 ' HG3' ' CE2' ' A' ' 11' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.549 ' HA ' ' CD2' ' A' ' 11' ' ' TYR . 2.8 mt-10 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.256 -0.275 . . . . 0.0 110.256 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.466 ' O ' ' N ' ' A' ' 13' ' ' GLN . 16.6 m-20 -52.98 -20.4 3.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.586 ' CE1' ' HB3' ' A' ' 12' ' ' GLU . 4.2 p90 -48.01 -27.34 2.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 111.04 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.586 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 0.1 OUTLIER -89.36 -24.37 21.99 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.443 1.089 . . . . 0.0 110.259 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.466 ' N ' ' O ' ' A' ' 10' ' ' ASP . 1.2 pp0? -58.36 -16.31 14.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.353 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.563 ' O ' HD12 ' A' ' 17' ' ' ILE . 25.0 m95 -74.79 -20.74 59.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 108.001 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.45 HD21 ' HA ' ' A' ' 76' ' ' LYS . 11.1 mt -70.15 -39.07 75.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -47.22 -36.82 9.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 110.312 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.588 ' H ' HD12 ' A' ' 17' ' ' ILE . 0.4 OUTLIER -113.47 94.9 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.277 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.03 -177.14 0.6 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.528 HG11 ' CA ' ' A' ' 72' ' ' TYR . 2.7 m -97.42 164.08 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.133 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.49 ' HA ' ' C ' ' A' ' 21' ' ' PRO . 3.6 m -123.96 156.73 65.33 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.979 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.49 ' C ' ' HA ' ' A' ' 20' ' ' SER . 18.5 Cg_endo -74.9 174.43 52.62 Favored 'Cis proline' 0 C--N 1.359 1.127 0 C-N-CA 121.013 -2.494 . . . . 0.0 111.052 -0.116 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 4.21 4.94 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.51 1.795 . . . . 0.0 110.989 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.02 -20.65 59.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 110.278 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.414 ' O ' ' N ' ' A' ' 27' ' ' THR . . . -65.38 -14.2 59.43 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.495 1.122 . . . . 0.0 111.019 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -43.4 -48.12 7.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 0.772 . . . . 0.0 109.292 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -45.98 -39.15 8.58 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.108 . . . . 0.0 110.365 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.872 HG22 HG13 ' A' ' 31' ' ' ILE . 98.3 m -93.17 -28.33 16.36 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.475 1.109 . . . . 0.0 110.446 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.551 ' HG2' ' CE2' ' A' ' 72' ' ' TYR . 1.1 tmm_? -41.48 -51.16 3.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 110.337 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.421 ' N ' ' HD2' ' A' ' 28' ' ' ARG . 6.0 mtt180 -60.02 -37.15 78.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.304 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.448 ' N ' ' O ' ' A' ' 27' ' ' THR . 53.4 t -71.61 -51.43 32.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.872 HG13 HG22 ' A' ' 27' ' ' THR . 21.2 mt -53.01 -42.98 46.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -41.56 -43.59 2.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.292 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.1 mmmm -72.17 -39.45 68.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.853 HD21 HD21 ' A' ' 62' ' ' LEU . 45.3 tp -57.07 -64.9 0.72 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.272 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.48 -46.43 76.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.341 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.3 ttp180 -56.99 -37.74 72.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.55 1.156 . . . . 0.0 110.301 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.682 ' CZ ' ' CD1' ' A' ' 45' ' ' LEU . 21.5 t80 -78.4 -39.37 39.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 110.975 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.428 ' C ' ' N ' ' A' ' 40' ' ' GLU . 23.1 t -64.29 -75.84 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 109.272 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.799 ' HB3' HD12 ' A' ' 80' ' ' ILE . . . -40.99 -29.32 0.1 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.125 . . . . 0.0 109.299 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.428 ' N ' ' C ' ' A' ' 38' ' ' VAL . 2.1 mm-40 -62.04 -65.13 0.74 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.278 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -81.48 -62.8 1.92 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.522 1.139 . . . . 0.0 110.948 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 154.19 -144.58 11.38 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -34.11 4.06 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.519 1.799 . . . . 0.0 110.955 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.464 ' O ' HG23 ' A' ' 48' ' ' VAL . 0.7 OUTLIER -51.71 -30.49 22.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 110.338 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.682 ' CD1' ' CZ ' ' A' ' 37' ' ' PHE . 0.1 OUTLIER -73.65 -55.72 5.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.317 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.08 -37.2 6.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.307 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.8 mttt -70.16 -56.29 7.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 109.342 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 44' ' ' GLU . 53.5 t -54.76 -38.85 45.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -49.42 -51.33 36.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 14.0 mtt -57.01 -18.29 13.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.122 . . . . 0.0 110.962 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -93.63 -38.27 11.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.291 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.406 ' HB3' ' CE1' ' A' ' 53' ' ' TYR . 1.1 m-20 -63.66 -31.63 72.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.302 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.758 ' CD2' ' CD2' ' A' ' 59' ' ' PHE . 2.4 m-85 -121.95 31.36 6.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.987 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.14 -37.94 56.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -121.24 69.23 0.9 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.529 1.143 . . . . 0.0 109.265 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.451 ' ND2' ' HA ' ' A' ' 53' ' ' TYR . 2.4 m-80 -135.29 119.87 13.49 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.539 ' HA ' ' CG2' ' A' ' 60' ' ' THR . 18.4 Cg_endo -74.98 -3.3 13.72 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.482 1.78 . . . . 0.0 110.99 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -99.41 -36.73 9.48 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.451 1.094 . . . . 0.0 109.31 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.758 ' CD2' ' CD2' ' A' ' 53' ' ' TYR . 1.2 m-85 -93.53 29.35 2.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 110.985 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.539 ' CG2' ' HA ' ' A' ' 57' ' ' PRO . 66.0 p -69.33 -13.27 62.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.446 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.606 ' CE1' ' CD2' ' A' ' 59' ' ' PHE . 42.8 p90 -68.55 -41.87 79.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.99 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.853 HD21 HD21 ' A' ' 34' ' ' LEU . 11.5 mt -40.12 -71.28 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.145 . . . . 0.0 109.301 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 20.8 m-70 -41.74 -57.27 2.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.63 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.77 129.2 40.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.479 ' O ' ' CD1' ' A' ' 70' ' ' PHE . 4.3 mmtt -90.16 -66.83 0.89 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.431 1.082 . . . . 0.0 109.33 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -99.13 84.41 3.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.263 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 9.8 t -123.61 -71.44 0.72 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 110.03 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.592 ' HA ' HD12 ' A' ' 71' ' ' LEU . 0.0 OUTLIER 174.42 -30.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.323 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.553 ' HG2' HD11 ' A' ' 31' ' ' ILE . 0.1 OUTLIER -89.8 -46.97 8.21 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.456 1.098 . . . . 0.0 110.3 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.479 ' CD1' ' O ' ' A' ' 65' ' ' LYS . 29.7 t80 -55.99 -16.46 4.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 0.0 110.972 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.592 HD12 ' HA ' ' A' ' 68' ' ' ARG . 15.9 mt -79.1 -55.85 4.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.153 . . . . 0.0 109.286 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.551 ' CE2' ' HG2' ' A' ' 28' ' ' ARG . 15.0 t80 -56.35 -43.19 78.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.995 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.944 ' O ' HG23 ' A' ' 77' ' ' VAL . 1.7 t80 -44.11 -30.84 0.81 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 111.014 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.408 ' CD ' ' O ' ' A' ' 70' ' ' PHE . 0.0 OUTLIER -93.69 -31.27 14.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.328 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.403 ' N ' ' O ' ' A' ' 72' ' ' TYR . 24.2 mmt180 -58.14 -36.22 72.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 110.264 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.474 ' O ' ' N ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -86.33 -35.75 19.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.944 HG23 ' O ' ' A' ' 73' ' ' TYR . 2.6 t -41.29 -40.47 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.6 -46.75 81.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.091 . . . . 0.0 109.286 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.474 ' N ' ' O ' ' A' ' 76' ' ' LYS . 22.1 tp10 -56.63 -60.75 3.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 110.312 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.799 HD12 ' HB3' ' A' ' 39' ' ' ALA . 0.0 OUTLIER -61.27 -41.55 90.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.501 ' CG ' ' O ' ' A' ' 77' ' ' VAL . 3.1 mmm180 -40.82 -61.69 0.92 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.304 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.57 ' HD3' ' CD2' ' A' ' 11' ' ' TYR . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.276 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 110.27 -0.271 . . . . 0.0 110.27 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.5 ' O ' ' N ' ' A' ' 13' ' ' GLN . 7.6 p-10 -41.94 -53.51 3.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.633 ' HA ' ' HB1' ' A' ' 78' ' ' ALA . 0.2 OUTLIER -37.77 -30.45 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.482 1.114 . . . . 0.0 111.0 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.569 ' HB2' ' CE1' ' A' ' 11' ' ' TYR . 15.9 tt0 -103.93 -29.05 11.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.22 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.5 ' N ' ' O ' ' A' ' 10' ' ' ASP . 1.5 pt20 -66.22 -17.6 64.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 110.294 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.563 ' O ' HD12 ' A' ' 17' ' ' ILE . 28.4 m95 -85.48 -31.7 22.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 108.028 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.465 HD12 ' HA ' ' A' ' 15' ' ' LEU . 0.7 OUTLIER -56.38 -30.9 63.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -57.36 -32.74 67.07 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 110.296 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.563 HD12 ' O ' ' A' ' 14' ' ' TRP . 0.1 OUTLIER -109.01 102.55 14.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 27.4 mmtm -84.12 166.27 17.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.499 HG21 ' N ' ' A' ' 72' ' ' TYR . 65.1 t -89.33 137.91 20.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 109.28 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.496 ' HA ' ' C ' ' A' ' 21' ' ' PRO . 0.1 OUTLIER -92.58 155.72 41.83 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.48 1.113 . . . . 0.0 109.966 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.496 ' C ' ' HA ' ' A' ' 20' ' ' SER . 18.3 Cg_endo -74.97 174.46 52.56 Favored 'Cis proline' 0 C--N 1.361 1.197 0 C-N-CA 121.014 -2.494 . . . . 0.0 111.002 -0.023 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 4.05 5.06 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.517 1.798 . . . . 0.0 111.026 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.92 -25.28 63.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 110.318 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.01 -12.76 38.02 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.48 1.112 . . . . 0.0 111.003 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -40.79 -42.94 1.9 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 0.747 . . . . 0.0 109.287 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -76.16 -57.0 4.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 110.303 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.686 ' O ' HG12 ' A' ' 30' ' ' VAL . 17.5 m -46.84 -25.46 0.76 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.388 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.17 -23.01 1.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.095 . . . . 0.0 110.263 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 86.2 mtt-85 -74.42 -31.36 62.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 110.296 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.686 HG12 ' O ' ' A' ' 27' ' ' THR . 6.1 p -92.86 -14.49 8.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.449 1.093 . . . . 0.0 109.326 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.785 HG23 ' HB2' ' A' ' 73' ' ' TYR . 65.0 mt -87.24 -53.22 10.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.153 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -51.46 -32.34 26.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.287 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 36.6 tptt -60.06 -49.02 79.3 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.499 1.125 . . . . 0.0 109.29 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.943 ' CD1' HD21 ' A' ' 62' ' ' LEU . 0.6 OUTLIER -56.49 -54.24 48.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.452 ' CB ' HG22 ' A' ' 77' ' ' VAL . . . -59.56 -58.56 8.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.402 ' O ' ' HB3' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -49.84 -22.15 1.37 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 110.28 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.545 ' O ' HD12 ' A' ' 45' ' ' LEU . 23.3 t80 -94.47 -29.65 14.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 111.037 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.487 HG12 ' N ' ' A' ' 39' ' ' ALA . 5.5 t -85.73 -75.77 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.27 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.797 ' HB3' HD12 ' A' ' 80' ' ' ILE . . . -39.67 -29.91 0.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.536 1.147 . . . . 0.0 109.263 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.442 ' N ' ' C ' ' A' ' 38' ' ' VAL . 2.1 tt0 -65.07 -67.02 0.47 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 110.251 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -76.7 -69.48 1.39 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.489 1.118 . . . . 0.0 110.989 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 164.28 -147.27 12.5 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.459 ' O ' ' N ' ' A' ' 46' ' ' GLU . 18.3 Cg_endo -74.95 -40.44 0.92 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.478 1.778 . . . . 0.0 111.029 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -47.13 -30.66 2.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 110.294 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.55 ' CD2' ' N ' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -70.47 -36.68 74.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.268 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 43' ' ' PRO . 2.1 tm-20 -70.75 -26.84 63.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.328 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.562 ' N ' ' CD ' ' A' ' 47' ' ' LYS . 0.1 OUTLIER -81.16 -45.52 16.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.332 179.944 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 25.3 t -65.36 -48.57 82.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -48.61 -53.15 19.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.27 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 3.1 mtt -55.68 -18.09 7.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 110.972 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -96.41 -38.0 10.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 110.313 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -70.58 -38.29 74.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.333 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.473 ' CD2' ' CD1' ' A' ' 59' ' ' PHE . 8.7 m-30 -96.18 16.04 19.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.989 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.3 tttm -68.37 -10.29 54.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 109.318 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -108.22 -27.8 9.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 45.7 m-80 -82.88 120.44 76.25 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.461 1.101 . . . . 0.0 109.266 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.687 ' O ' HG22 ' A' ' 60' ' ' THR . 18.3 Cg_endo -75.07 -36.86 2.26 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.447 1.762 . . . . 0.0 110.988 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -50.38 -29.79 10.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.438 1.086 . . . . 0.0 109.316 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.618 ' CD1' ' CE2' ' A' ' 61' ' ' PHE . 0.8 OUTLIER -105.43 23.58 13.54 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.439 1.087 . . . . 0.0 110.996 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.687 HG22 ' O ' ' A' ' 57' ' ' PRO . 10.2 t -71.17 -12.82 61.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 110.423 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.733 ' HZ ' HD12 ' A' ' 34' ' ' LEU . 48.2 p90 -60.65 -34.69 74.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.98 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.943 HD21 ' CD1' ' A' ' 34' ' ' LEU . 32.3 mt -40.2 -55.2 2.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 109.256 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -80.85 58.63 3.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 109.582 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 178.14 116.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.474 ' HG3' ' CE1' ' A' ' 70' ' ' PHE . 0.0 OUTLIER -98.9 48.05 0.97 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 20.1 m-80 -174.09 36.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.556 ' O ' ' CB ' ' A' ' 68' ' ' ARG . 14.7 t -101.07 -5.43 25.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.021 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.556 ' CB ' ' O ' ' A' ' 67' ' ' SER . 1.1 ptt180 88.8 -22.09 0.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.309 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.433 ' N ' ' HG2' ' A' ' 68' ' ' ARG . 1.9 tt0 -89.52 -61.46 1.69 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 110.273 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.474 ' CE1' ' HG3' ' A' ' 65' ' ' LYS . 48.8 t80 -45.09 -34.02 2.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 111.021 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.624 HD22 ' N ' ' A' ' 71' ' ' LEU . 1.6 mm? -69.41 -50.35 46.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.442 1.089 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.646 ' HD2' HG21 ' A' ' 31' ' ' ILE . 77.3 t80 -60.51 -32.14 71.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 111.027 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.785 ' HB2' HG23 ' A' ' 31' ' ' ILE . 1.1 t80 -71.64 -46.15 59.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 110.991 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.79 -32.27 65.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 110.338 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.446 ' NH1' ' O ' ' A' ' 17' ' ' ILE . 67.8 mtt180 -71.97 -70.21 0.35 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 110.271 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.454 ' HD3' HD11 ' A' ' 15' ' ' LEU . 19.4 mmtt -44.64 -34.12 2.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.681 HG23 ' O ' ' A' ' 73' ' ' TYR . 2.4 t -49.68 -36.87 11.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.633 ' HB1' ' HA ' ' A' ' 11' ' ' TYR . . . -68.26 -31.88 71.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.572 1.17 . . . . 0.0 109.291 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.459 ' HB2' ' CD2' ' A' ' 15' ' ' LEU . 32.4 tp10 -71.56 -55.58 7.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 110.251 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.797 HD12 ' HB3' ' A' ' 39' ' ' ALA . 0.0 OUTLIER -64.2 -39.96 87.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.545 1.153 . . . . 0.0 109.268 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.452 ' HG2' ' CB ' ' A' ' 39' ' ' ALA . 4.4 mmm180 -43.55 -62.86 0.96 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 110.245 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.565 ' HG3' ' CE2' ' A' ' 11' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.43 ' HA ' ' CD2' ' A' ' 11' ' ' TYR . 8.3 tt0 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.267 -0.271 . . . . 0.0 110.267 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.457 ' O ' ' N ' ' A' ' 13' ' ' GLN . 2.1 m-20 -47.19 -25.83 1.01 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.525 ' CD1' ' C ' ' A' ' 11' ' ' TYR . 2.3 p90 -48.47 -25.31 1.6 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 111.022 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.403 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 6.5 pt-20 -94.82 -22.6 17.94 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.117 . . . . 0.0 110.298 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.457 ' N ' ' O ' ' A' ' 10' ' ' ASP . 0.1 OUTLIER -61.9 -13.06 21.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 110.321 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.861 ' O ' HD12 ' A' ' 17' ' ' ILE . 31.8 m95 -84.29 -49.12 9.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 107.997 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.515 HD22 ' HB2' ' A' ' 79' ' ' GLU . 0.4 OUTLIER -44.84 -26.79 0.44 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.095 . . . . 0.0 109.315 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.423 ' N ' ' C ' ' A' ' 14' ' ' TRP . 17.7 mt-10 -59.2 -37.66 77.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.29 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.861 HD12 ' O ' ' A' ' 14' ' ' TRP . 0.1 OUTLIER -112.99 96.18 4.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.406 ' HA ' ' NH2' ' A' ' 75' ' ' ARG . 6.4 mmtp -64.64 173.15 2.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.836 HG11 ' O ' ' A' ' 68' ' ' ARG . 60.7 t -87.39 139.97 16.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.14 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.495 ' HA ' ' C ' ' A' ' 21' ' ' PRO . 0.0 OUTLIER -109.0 157.64 36.42 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.987 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.495 ' C ' ' HA ' ' A' ' 20' ' ' SER . 18.1 Cg_endo -75.04 174.44 52.72 Favored 'Cis proline' 0 C--N 1.361 1.205 0 C-N-CA 121.002 -2.499 . . . . 0.0 110.961 0.069 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 4.25 4.9 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.497 1.788 . . . . 0.0 111.015 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -72.19 -22.23 61.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 110.339 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 25' ' ' ALA . . . -69.95 -12.97 68.95 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.45 1.094 . . . . 0.0 110.968 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 24' ' ' GLY . . . -40.21 -36.22 0.49 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 0.757 . . . . 0.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -55.57 -58.81 6.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.3 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.707 ' O ' HG12 ' A' ' 30' ' ' VAL . 31.5 m -73.46 -29.0 62.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 110.373 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.565 ' HG2' ' CE2' ' A' ' 72' ' ' TYR . 3.0 tmm_? -41.45 -27.93 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 110.304 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.42 ' N ' ' C ' ' A' ' 27' ' ' THR . 72.0 mtt180 -74.02 -52.78 11.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 110.267 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.707 HG12 ' O ' ' A' ' 27' ' ' THR . 9.5 p -60.71 -29.01 44.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.686 HG21 ' HD2' ' A' ' 72' ' ' TYR . 66.8 mt -70.91 -44.26 76.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.567 1.167 . . . . 0.0 109.268 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -45.47 -29.72 1.2 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 110.335 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -90.64 -33.39 15.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.762 HD22 ' HZ ' ' A' ' 61' ' ' PHE . 19.2 tp -66.36 -49.77 65.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.147 . . . . 0.0 109.278 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.62 -30.56 71.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 16.4 ttm180 -78.14 -68.24 0.65 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 110.267 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.495 ' CG ' HD12 ' A' ' 45' ' ' LEU . 4.4 t80 -45.72 -24.52 0.37 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 110.929 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.787 HG21 ' OH ' ' A' ' 73' ' ' TYR . 18.1 t -83.02 -75.68 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.261 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.91 ' HB3' HD12 ' A' ' 80' ' ' ILE . . . -45.86 -25.72 0.57 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.348 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.407 ' N ' ' C ' ' A' ' 38' ' ' VAL . 4.9 tp10 -67.97 -55.19 13.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.552 1.157 . . . . 0.0 110.288 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -92.1 -61.7 1.19 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.444 1.09 . . . . 0.0 110.986 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 38' ' ' VAL . . . 152.59 -145.92 13.98 Favored Glycine 0 CA--C 1.531 1.04 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -32.29 5.49 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.47 1.774 . . . . 0.0 111.016 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.594 ' O ' HG23 ' A' ' 48' ' ' VAL . 2.8 mt-10 -50.64 -33.25 21.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 110.29 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.574 ' CD2' ' N ' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -75.58 -44.0 45.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 51.1 tt0 -56.21 -38.7 71.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 0.0 110.3 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.3 mtmt -70.54 -58.89 3.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.594 HG23 ' O ' ' A' ' 44' ' ' GLU . 75.7 t -49.85 -42.66 18.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -47.7 -59.92 2.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.57 1.168 . . . . 0.0 109.333 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 9.5 mtt -47.59 -25.54 1.18 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 111.003 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -88.61 -36.96 16.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.307 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -64.37 -39.68 94.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 109.314 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.78 ' CD2' ' CE1' ' A' ' 59' ' ' PHE . 2.0 m-85 -109.89 26.09 11.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 111.006 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.12 -40.13 45.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.327 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 39.7 t0 -118.04 64.74 0.75 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -134.15 119.81 14.7 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 109.267 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.567 ' C ' HG23 ' A' ' 60' ' ' THR . 18.4 Cg_endo -75.0 -7.28 19.02 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.501 1.79 . . . . 0.0 111.033 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -95.63 -20.85 18.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 0.0 109.312 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.78 ' CE1' ' CD2' ' A' ' 53' ' ' TYR . 1.2 m-85 -106.07 26.67 9.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.424 1.078 . . . . 0.0 111.014 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.567 HG23 ' C ' ' A' ' 57' ' ' PRO . 66.8 p -69.25 -12.4 61.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 110.386 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.762 ' HZ ' HD22 ' A' ' 34' ' ' LEU . 43.4 p90 -70.04 -39.21 75.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 111.013 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.679 HD21 HD21 ' A' ' 34' ' ' LEU . 10.4 mt -39.61 -67.5 0.22 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.332 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 13.1 m-70 -47.07 -50.99 18.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 109.615 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -62.21 110.39 1.61 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.16 . . . . 0.0 109.338 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.586 ' HA ' ' CD2' ' A' ' 70' ' ' PHE . 4.5 mtmp? -107.26 33.08 4.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.326 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.444 ' ND2' ' O ' ' A' ' 65' ' ' LYS . 22.7 m-80 -175.51 52.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 83.5 p -118.23 -70.87 0.77 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.578 1.174 . . . . 0.0 110.035 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.836 ' O ' HG11 ' A' ' 19' ' ' VAL . 0.0 OUTLIER 174.94 -31.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 110.279 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.487 ' N ' ' HG2' ' A' ' 68' ' ' ARG . 0.6 OUTLIER -78.41 -52.45 8.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 110.342 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.586 ' CD2' ' HA ' ' A' ' 65' ' ' LYS . 82.8 t80 -59.46 -21.21 59.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 111.017 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.709 HD12 ' HA ' ' A' ' 68' ' ' ARG . 19.0 mt -75.2 -46.85 31.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.297 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.811 ' CA ' HG21 ' A' ' 19' ' ' VAL . 52.4 t80 -64.44 -46.56 82.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 111.027 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.787 ' OH ' HG21 ' A' ' 38' ' ' VAL . 5.3 t80 -47.56 -36.79 11.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 111.002 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 13.5 mmt180 -74.32 -31.4 62.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 110.295 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.459 ' NH2' ' O ' ' A' ' 17' ' ' ILE . 0.0 OUTLIER -68.27 -73.78 0.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.138 . . . . 0.0 110.298 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 79' ' ' GLU . 0.1 OUTLIER -37.17 -44.92 0.59 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.786 HG23 ' O ' ' A' ' 73' ' ' TYR . 2.9 t -40.28 -46.28 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . -55.65 -48.51 74.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.281 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.515 ' HB2' HD22 ' A' ' 15' ' ' LEU . 24.3 tp10 -55.98 -67.69 0.27 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.123 . . . . 0.0 110.304 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.91 HD12 ' HB3' ' A' ' 39' ' ' ALA . 0.0 OUTLIER -52.82 -39.82 32.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 109.31 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.46 ' HG2' ' HB1' ' A' ' 39' ' ' ALA . 9.7 mmm180 -50.06 -53.4 27.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.25 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.52 ' HG3' ' CZ ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.474 ' HA ' ' CD2' ' A' ' 11' ' ' TYR . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.324 -0.25 . . . . 0.0 110.324 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.481 ' CA ' ' HG2' ' A' ' 13' ' ' GLN . 61.5 m-20 -45.18 -26.75 0.52 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.566 ' CD2' ' HG3' ' A' ' 82' ' ' LYS . 4.6 p90 -50.43 -19.5 0.87 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 111.007 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -104.77 -21.64 13.32 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.488 1.117 . . . . 0.0 110.261 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.481 ' HG2' ' CA ' ' A' ' 10' ' ' ASP . 0.6 OUTLIER -65.48 -11.59 44.64 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.546 1.153 . . . . 0.0 110.301 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.668 ' O ' HD12 ' A' ' 17' ' ' ILE . 30.6 m95 -91.07 -26.9 18.93 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.964 -1.124 . . . . 0.0 107.964 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.515 HD13 ' HB2' ' A' ' 79' ' ' GLU . 1.4 tp -66.05 -42.63 89.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -44.66 -37.09 3.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 110.297 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.668 HD12 ' O ' ' A' ' 14' ' ' TRP . 0.4 OUTLIER -113.83 94.82 3.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.514 1.133 . . . . 0.0 109.3 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.514 ' HD2' ' CE1' ' A' ' 72' ' ' TYR . 23.5 mmtp -79.52 -172.03 3.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.498 HG11 ' N ' ' A' ' 72' ' ' TYR . 2.4 m -89.8 166.98 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.125 . . . . 0.0 109.305 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.522 ' HA ' ' C ' ' A' ' 21' ' ' PRO . 81.1 p -116.54 144.7 33.71 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.936 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.522 ' C ' ' HA ' ' A' ' 20' ' ' SER . 18.3 Cg_endo -75.0 174.44 52.7 Favored 'Cis proline' 0 C--N 1.36 1.161 0 C-N-CA 121.018 -2.493 . . . . 0.0 110.998 -0.023 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 3.83 5.28 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.484 1.781 . . . . 0.0 111.017 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -68.62 -25.9 65.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 110.299 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -52.82 -19.11 6.39 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.486 1.116 . . . . 0.0 111.039 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -50.4 -22.88 2.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 0.766 . . . . 0.0 109.309 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -78.37 -55.64 5.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.263 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.448 ' O ' ' N ' ' A' ' 30' ' ' VAL . 5.4 m -64.52 -14.53 57.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.403 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.1 tmm_? -45.91 -49.6 15.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.152 . . . . 0.0 110.346 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.1 mtm180 -56.46 -25.08 49.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 110.321 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.448 ' N ' ' O ' ' A' ' 27' ' ' THR . 72.2 t -95.41 -24.67 4.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 0.0 109.257 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.459 HD11 ' CG ' ' A' ' 69' ' ' GLU . 85.2 mt -80.08 -64.9 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.163 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 31' ' ' ILE . 3.7 mt-10 -37.17 -39.69 0.27 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.555 1.16 . . . . 0.0 110.304 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -46.58 -54.92 8.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 1.002 HD11 HD21 ' A' ' 62' ' ' LEU . 1.2 tt -53.75 -48.14 69.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.26 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.423 ' HB1' HG21 ' A' ' 80' ' ' ILE . . . -60.1 -60.02 4.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.48 ' O ' ' CG ' ' A' ' 40' ' ' GLU . 4.4 tpt180 -45.22 -33.6 2.4 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.451 1.094 . . . . 0.0 110.261 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 32.9 t80 -78.46 -49.32 13.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 0.0 110.982 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.427 HG22 ' N ' ' A' ' 46' ' ' GLU . 2.9 t -66.33 -69.12 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.917 ' HB3' HD12 ' A' ' 80' ' ' ILE . . . -40.39 -33.93 0.29 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.48 ' CG ' ' O ' ' A' ' 36' ' ' ARG . 1.7 mm-40 -57.88 -67.77 0.31 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.261 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -76.94 -67.25 1.69 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.482 1.114 . . . . 0.0 110.993 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 157.6 -143.61 9.69 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -33.75 4.36 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.48 1.779 . . . . 0.0 110.995 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.511 ' O ' HG23 ' A' ' 48' ' ' VAL . 4.7 tt0 -52.67 -29.53 26.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 110.279 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.519 ' CD2' ' N ' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -73.34 -59.49 2.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.369 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.427 ' N ' HG22 ' A' ' 38' ' ' VAL . 11.0 tm-20 -42.4 -38.09 1.77 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.132 . . . . 0.0 110.306 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -71.92 -63.19 1.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 44' ' ' GLU . 61.2 t -48.4 -48.55 13.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 0.0 109.274 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.629 ' HB1' ' CE2' ' A' ' 53' ' ' TYR . . . -44.31 -59.85 2.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.278 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 1.8 mtt -46.46 -23.97 0.45 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.979 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 48' ' ' VAL . 19.2 tp10 -94.82 -52.92 4.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.444 1.09 . . . . 0.0 110.268 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -55.67 -20.91 15.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.433 1.083 . . . . 0.0 109.315 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.629 ' CE2' ' HB1' ' A' ' 49' ' ' ALA . 5.1 m-30 -114.53 21.01 14.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 111.013 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 53' ' ' TYR . 3.5 tttt -38.6 -32.8 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 109.258 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.427 ' N ' ' C ' ' A' ' 53' ' ' TYR . 15.9 m-20 -115.31 80.94 1.5 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.264 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.653 ' O ' HG22 ' A' ' 60' ' ' THR . 1.1 p30 -106.63 121.3 45.58 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 109.263 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.61 ' O ' HG23 ' A' ' 60' ' ' THR . 18.3 Cg_endo -75.02 -61.86 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.49 1.784 . . . . 0.0 110.997 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -95.8 -16.98 21.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.511 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 0.2 OUTLIER -88.25 31.55 0.8 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 110.981 -179.958 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.653 HG22 ' O ' ' A' ' 56' ' ' ASN . 77.8 p -76.08 -12.39 60.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 110.458 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.511 ' CE1' ' HA ' ' A' ' 59' ' ' PHE . 49.6 p90 -63.79 -13.42 43.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 111.035 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 1.002 HD21 HD11 ' A' ' 34' ' ' LEU . 13.8 mt -64.93 -44.58 89.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.249 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.556 ' CE1' ' HB ' ' A' ' 60' ' ' THR . 12.7 p80 -91.07 35.72 0.91 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.147 . . . . 0.0 109.609 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -146.67 93.28 2.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.274 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.581 ' CD ' ' CZ ' ' A' ' 70' ' ' PHE . 14.1 mmtt -60.48 -85.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.35 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 25.3 p30 -70.82 70.83 0.5 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.406 ' O ' ' HB3' ' A' ' 68' ' ' ARG . 2.0 t -115.03 -83.5 0.62 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 109.991 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.444 ' O ' HG21 ' A' ' 19' ' ' VAL . 0.0 OUTLIER 173.51 -30.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 110.279 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.476 ' HB3' ' CG ' ' A' ' 61' ' ' PHE . 1.0 OUTLIER -92.73 -32.83 14.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 110.288 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.581 ' CZ ' ' CD ' ' A' ' 65' ' ' LYS . 58.1 t80 -68.07 -33.16 74.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.989 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.591 HD22 ' N ' ' A' ' 71' ' ' LEU . 2.0 mm? -69.59 -51.91 30.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.249 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.514 ' CE1' ' HD2' ' A' ' 18' ' ' LYS . 34.5 t80 -56.47 -38.92 72.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 110.986 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.944 ' O ' HG23 ' A' ' 77' ' ' VAL . 2.3 t80 -56.98 -26.85 60.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.142 . . . . 0.0 111.004 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 6.1 mtm180 -89.62 -34.42 16.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 110.263 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.499 ' O ' ' CD1' ' A' ' 15' ' ' LEU . 23.3 mmt180 -61.58 -32.66 72.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.291 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.516 ' O ' HG22 ' A' ' 80' ' ' ILE . 8.7 mmtt -86.88 -35.22 19.11 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.944 HG23 ' O ' ' A' ' 73' ' ' TYR . 2.6 t -47.06 -45.31 8.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -66.27 -30.84 71.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.542 1.151 . . . . 0.0 109.281 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.515 ' HB2' HD13 ' A' ' 15' ' ' LEU . 23.4 tp10 -73.01 -56.68 4.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 110.292 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.917 HD12 ' HB3' ' A' ' 39' ' ' ALA . 0.0 OUTLIER -63.81 -40.17 88.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.261 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.49 ' CG ' ' O ' ' A' ' 77' ' ' VAL . 1.8 mmm180 -47.16 -63.8 0.95 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.333 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.566 ' HG3' ' CD2' ' A' ' 11' ' ' TYR . 7.4 mmtt . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.33 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.414 ' HA ' ' CD2' ' A' ' 11' ' ' TYR . 5.8 mt-10 . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.261 -0.274 . . . . 0.0 110.261 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.453 ' O ' ' N ' ' A' ' 13' ' ' GLN . 0.7 OUTLIER -60.02 -15.66 24.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.574 ' CE1' ' HB2' ' A' ' 12' ' ' GLU . 4.2 p90 -47.98 -29.76 3.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 111.006 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.574 ' HB2' ' CE1' ' A' ' 11' ' ' TYR . 26.2 tt0 -91.08 -21.64 21.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 110.282 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.455 ' NE2' HD11 ' A' ' 17' ' ' ILE . 0.1 OUTLIER -60.01 -16.7 32.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 110.282 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 27.6 m95 -77.55 -27.69 51.61 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.645 HD11 ' HG3' ' A' ' 79' ' ' GLU . 12.8 mt -62.73 -28.16 69.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -58.96 -33.48 70.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 110.313 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.455 HD11 ' NE2' ' A' ' 13' ' ' GLN . 0.2 OUTLIER -108.83 94.57 3.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.584 1.178 . . . . 0.0 109.283 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.3 mmtp -71.32 163.52 27.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.465 HG11 ' N ' ' A' ' 72' ' ' TYR . 1.2 m -89.61 165.67 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.322 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.524 ' HA ' ' C ' ' A' ' 21' ' ' PRO . 73.2 p -116.59 150.08 44.96 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.127 . . . . 0.0 109.993 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.524 ' C ' ' HA ' ' A' ' 20' ' ' SER . 18.2 Cg_endo -75.06 174.21 53.91 Favored 'Cis proline' 0 C--N 1.359 1.122 0 C-N-CA 120.971 -2.512 . . . . 0.0 110.978 0.039 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 4.46 4.73 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.538 1.809 . . . . 0.0 111.014 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -68.32 -38.68 81.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.28 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -47.09 -26.03 2.87 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.493 1.121 . . . . 0.0 111.011 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -41.5 -36.55 0.91 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 0.772 . . . . 0.0 109.293 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -71.6 -53.33 14.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.303 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.475 ' O ' ' N ' ' A' ' 30' ' ' VAL . 1.8 m -60.54 -14.3 19.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.422 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.429 ' HD2' ' N ' ' A' ' 29' ' ' ARG . 2.7 tmm_? -38.86 -57.61 1.21 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.163 . . . . 0.0 110.294 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.429 ' N ' ' HD2' ' A' ' 28' ' ' ARG . 12.7 mtp180 -48.59 -38.76 21.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.294 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.475 ' N ' ' O ' ' A' ' 27' ' ' THR . 89.2 t -78.48 -55.12 10.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.653 HG23 ' HB2' ' A' ' 73' ' ' TYR . 35.7 mt -48.64 -63.08 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.465 ' OE2' ' CB ' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -45.6 -31.17 1.74 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.097 . . . . 0.0 110.303 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.423 ' CB ' ' O ' ' A' ' 30' ' ' VAL . 14.6 tptt -59.11 -50.42 74.12 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.131 . . . . 0.0 109.272 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.637 HD13 ' HE2' ' A' ' 59' ' ' PHE . 38.2 tp -63.29 -47.68 81.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.38 -49.8 75.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.279 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.9 ttt-85 -63.09 -23.39 67.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.274 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.461 ' CZ ' ' CD1' ' A' ' 45' ' ' LEU . 20.4 t80 -87.03 -36.96 17.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.159 . . . . 0.0 110.982 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.551 HG21 ' OH ' ' A' ' 73' ' ' TYR . 9.4 t -73.45 -73.27 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.915 ' HB3' HD12 ' A' ' 80' ' ' ILE . . . -39.94 -31.05 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.433 ' N ' ' C ' ' A' ' 38' ' ' VAL . 0.6 OUTLIER -58.99 -67.74 0.34 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.163 . . . . 0.0 110.28 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.0 -50.09 5.69 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.505 1.128 . . . . 0.0 110.993 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 38' ' ' VAL . . . 136.2 -142.75 14.03 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -28.19 9.38 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.486 1.782 . . . . 0.0 111.01 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.593 ' O ' HG23 ' A' ' 48' ' ' VAL . 2.1 mt-10 -54.31 -32.8 57.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.282 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.555 ' CD2' ' N ' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -75.55 -42.69 51.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -59.25 -38.94 81.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 0.0 110.337 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 8.5 mtmm -69.85 -49.72 49.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.291 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.593 HG23 ' O ' ' A' ' 44' ' ' GLU . 72.9 t -61.81 -46.81 95.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.335 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -44.75 -56.34 4.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 109.268 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.428 ' HA ' HD23 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -45.14 -24.49 0.25 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 111.028 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' A' ' 48' ' ' VAL . 6.1 mt-10 -95.81 -50.82 4.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 110.277 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -47.1 -47.2 23.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.543 ' CD2' ' CD2' ' A' ' 59' ' ' PHE . 8.0 m-85 -104.96 29.81 6.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 110.987 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -46.78 -43.5 18.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.281 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -119.96 77.94 1.29 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.271 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.403 ' O ' HG22 ' A' ' 60' ' ' THR . 1.1 m120 -134.74 118.64 13.48 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.555 ' C ' HG23 ' A' ' 60' ' ' THR . 18.4 Cg_endo -75.03 -2.53 12.67 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.521 1.801 . . . . 0.0 110.994 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -99.34 -54.54 2.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 0.0 109.319 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.637 ' HE2' HD13 ' A' ' 34' ' ' LEU . 2.8 m-85 -84.68 34.54 0.54 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 111.017 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.555 HG23 ' C ' ' A' ' 57' ' ' PRO . 68.7 p -65.09 -11.33 38.57 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.507 1.13 . . . . 0.0 110.359 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.552 ' CE1' ' HA ' ' A' ' 59' ' ' PHE . 43.3 p90 -75.51 -20.54 58.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 111.011 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.48 HD11 HD21 ' A' ' 34' ' ' LEU . 0.4 OUTLIER -44.04 -71.2 0.08 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.42 ' O ' ' N ' ' A' ' 65' ' ' LYS . 4.4 m-70 -59.25 -74.95 0.06 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.497 1.123 . . . . 0.0 109.551 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 63' ' ' HIS . 0.5 OUTLIER -40.22 99.14 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 63' ' ' HIS . 0.3 OUTLIER -62.37 -48.07 81.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 109.346 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 32.9 m120 -75.87 59.32 1.23 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.097 . . . . 0.0 109.29 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 9.4 t -120.59 130.28 54.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 110.034 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.518 ' HA ' HD12 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -55.83 -24.11 34.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 110.291 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.511 ' HB3' ' CG ' ' A' ' 61' ' ' PHE . 0.7 OUTLIER -85.1 -28.92 25.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 110.315 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -83.07 -16.55 46.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 111.026 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.518 HD12 ' HA ' ' A' ' 68' ' ' ARG . 8.7 mt -82.19 -63.91 1.29 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.117 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.465 ' N ' HG11 ' A' ' 19' ' ' VAL . 30.3 t80 -53.09 -34.09 55.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 111.014 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.958 ' O ' HG23 ' A' ' 77' ' ' VAL . 0.9 OUTLIER -60.48 -30.75 69.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 110.999 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -92.65 -24.87 18.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.325 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -68.17 -40.32 82.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.347 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.465 ' CB ' ' OE2' ' A' ' 32' ' ' GLU . 0.0 OUTLIER -83.51 -24.78 31.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.327 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.958 HG23 ' O ' ' A' ' 73' ' ' TYR . 1.7 t -48.15 -36.97 6.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.319 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.38 -33.3 69.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 109.323 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.645 ' HG3' HD11 ' A' ' 15' ' ' LEU . 5.2 tm-20 -66.99 -51.99 48.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 110.274 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.915 HD12 ' HB3' ' A' ' 39' ' ' ALA . 0.0 OUTLIER -69.54 -36.11 69.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.278 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 10.4 mmm-85 -49.31 -53.51 21.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.299 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 109.344 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.563 ' HA ' ' CD2' ' A' ' 11' ' ' TYR . 7.6 pt-20 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.283 -0.266 . . . . 0.0 110.283 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 13' ' ' GLN . 1.3 m-20 -46.67 -25.29 0.69 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 109.333 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.583 ' CD2' ' HG3' ' A' ' 82' ' ' LYS . 4.1 p90 -48.67 -22.63 0.81 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 111.037 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.538 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -97.36 -22.5 16.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 110.309 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.451 ' N ' ' O ' ' A' ' 10' ' ' ASP . 1.1 pp0? -60.03 -15.9 26.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 0.0 110.32 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.404 ' HA ' ' CD1' ' A' ' 17' ' ' ILE . 26.8 m95 -76.62 -19.09 58.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 107.992 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.439 HD11 ' HD3' ' A' ' 76' ' ' LYS . 9.5 mt -72.74 -23.28 60.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -62.97 -32.26 73.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 110.283 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.632 ' H ' HD12 ' A' ' 17' ' ' ILE . 0.1 OUTLIER -113.39 94.47 3.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.147 . . . . 0.0 109.279 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.0 mmtm -61.52 164.1 6.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.666 HG21 ' CA ' ' A' ' 72' ' ' TYR . 55.9 t -87.0 128.6 39.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.511 ' HA ' ' C ' ' A' ' 21' ' ' PRO . 0.4 OUTLIER -88.95 148.39 41.08 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.496 1.123 . . . . 0.0 110.013 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.511 ' C ' ' HA ' ' A' ' 20' ' ' SER . 18.3 Cg_endo -75.05 174.55 52.15 Favored 'Cis proline' 0 C--N 1.36 1.143 0 C-N-CA 120.999 -2.5 . . . . 0.0 110.976 0.033 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 4.49 4.7 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.489 1.784 . . . . 0.0 110.983 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -68.3 -36.05 78.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.262 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 25' ' ' ALA . . . -64.3 -12.53 51.13 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.45 1.094 . . . . 0.0 110.996 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.495 ' O ' ' CG ' ' A' ' 28' ' ' ARG . . . -39.03 -75.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 0.769 . . . . 0.0 109.299 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -39.78 -54.49 2.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 110.283 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.535 HG21 ' CD ' ' A' ' 69' ' ' GLU . 7.1 m -42.67 -38.33 2.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 110.373 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.495 ' CG ' ' O ' ' A' ' 25' ' ' ALA . 0.0 OUTLIER -40.2 -28.49 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 110.308 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.437 ' N ' ' C ' ' A' ' 27' ' ' THR . 5.7 mtm180 -62.07 -47.48 84.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 110.301 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.461 ' N ' ' O ' ' A' ' 27' ' ' THR . 1.1 p -77.85 -37.37 23.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.463 ' CG2' ' HA ' ' A' ' 73' ' ' TYR . 11.9 mt -60.3 -56.94 14.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.136 . . . . 0.0 109.344 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -45.3 -28.28 0.79 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 110.277 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.2 tptt -75.55 -43.05 50.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 109.314 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 1.072 HD21 HD21 ' A' ' 62' ' ' LEU . 32.4 tp -70.82 -41.3 71.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 109.279 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.95 -46.28 85.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.433 ' NH1' ' OE2' ' A' ' 40' ' ' GLU . 18.0 ttt-85 -63.24 -59.95 4.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 110.304 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.565 ' CZ ' HD13 ' A' ' 45' ' ' LEU . 10.5 t80 -46.45 -45.68 18.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.981 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.457 HG11 ' OH ' ' A' ' 73' ' ' TYR . 6.7 t -66.92 -74.37 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.45 1.094 . . . . 0.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.947 ' HB3' HD12 ' A' ' 80' ' ' ILE . . . -38.74 -31.44 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.448 ' N ' ' C ' ' A' ' 38' ' ' VAL . 0.2 OUTLIER -61.22 -63.65 1.22 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 110.286 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -86.21 -69.7 1.33 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.482 1.114 . . . . 0.0 111.016 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 159.8 -141.5 7.53 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -29.1 8.6 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.448 1.762 . . . . 0.0 111.013 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.424 ' O ' HG23 ' A' ' 48' ' ' VAL . 30.5 tt0 -54.78 -32.15 59.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 110.329 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.565 HD13 ' CZ ' ' A' ' 37' ' ' PHE . 0.1 OUTLIER -76.63 -40.91 47.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.339 179.95 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.51 -43.55 84.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.088 . . . . 0.0 110.271 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 8.7 mttt -66.05 -52.76 46.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 0.0 109.327 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 44' ' ' GLU . 55.0 t -57.48 -36.71 54.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 109.343 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.402 ' CB ' HD11 ' A' ' 34' ' ' LEU . . . -55.05 -49.23 72.12 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.134 . . . . 0.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.474 ' HG2' ' CE1' ' A' ' 63' ' ' HIS . 6.5 mtt -57.65 -23.64 52.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 110.968 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -82.76 -47.86 11.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.292 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.94 -45.18 64.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.649 ' CD2' ' CD1' ' A' ' 59' ' ' PHE . 11.7 m-85 -103.67 24.34 11.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.972 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -41.15 -37.63 0.93 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.272 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -125.91 63.68 1.22 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.348 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.4 ' CB ' ' HB3' ' A' ' 53' ' ' TYR . 0.8 OUTLIER -135.25 120.83 14.02 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 0.0 109.286 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.634 ' O ' HG22 ' A' ' 60' ' ' THR . 18.2 Cg_endo -75.05 -18.67 18.42 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.452 1.764 . . . . 0.0 111.005 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -79.25 -41.93 27.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.331 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.649 ' CD1' ' CD2' ' A' ' 53' ' ' TYR . 0.7 OUTLIER -99.11 22.92 9.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.999 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.634 HG22 ' O ' ' A' ' 57' ' ' PRO . 5.1 t -69.87 -12.82 61.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.393 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.686 ' HZ ' HD22 ' A' ' 34' ' ' LEU . 48.4 p90 -62.3 -38.72 90.47 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 110.969 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 1.072 HD21 HD21 ' A' ' 34' ' ' LEU . 17.5 mt -40.41 -68.93 0.15 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.343 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.474 ' CE1' ' HG2' ' A' ' 50' ' ' MET . 14.4 m-70 -50.88 -74.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.589 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.63 97.13 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.436 1.085 . . . . 0.0 109.28 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 67' ' ' SER . 0.1 OUTLIER -65.09 -74.68 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.402 1.064 . . . . 0.0 109.294 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 16.6 m-80 -68.65 68.02 0.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 65' ' ' LYS . 0.9 OUTLIER -108.19 -72.29 0.73 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.521 1.138 . . . . 0.0 109.97 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.524 ' O ' HG11 ' A' ' 19' ' ' VAL . 0.5 OUTLIER 167.45 -32.04 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 110.298 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.535 ' CD ' HG21 ' A' ' 27' ' ' THR . 13.8 mt-10 -92.74 -37.35 12.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.291 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -54.65 -39.7 68.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 0.0 110.989 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.78 ' N ' HD13 ' A' ' 71' ' ' LEU . 0.1 OUTLIER -60.93 -43.55 98.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 109.282 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.666 ' CA ' HG21 ' A' ' 19' ' ' VAL . 76.0 t80 -65.17 -47.62 76.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 0.0 111.021 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.622 ' O ' HG23 ' A' ' 77' ' ' VAL . 1.3 t80 -42.28 -53.17 4.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 111.007 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -62.92 -33.88 76.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.293 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.444 ' HD2' ' CG2' ' A' ' 19' ' ' VAL . 0.0 OUTLIER -57.51 -75.81 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.324 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.473 ' O ' HG22 ' A' ' 80' ' ' ILE . 0.3 OUTLIER -51.77 -34.32 39.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.329 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.622 HG23 ' O ' ' A' ' 73' ' ' TYR . 1.4 t -47.08 -24.66 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.404 ' N ' ' C ' ' A' ' 76' ' ' LYS . . . -80.78 -41.83 22.74 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.46 ' OE1' ' CB ' ' A' ' 12' ' ' GLU . 12.1 tp10 -60.65 -46.37 90.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 110.278 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.947 HD12 ' HB3' ' A' ' 39' ' ' ALA . 0.0 OUTLIER -71.79 -38.23 64.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.411 ' CG ' ' O ' ' A' ' 77' ' ' VAL . 8.5 mmm-85 -47.3 -67.76 0.25 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.277 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.583 ' HG3' ' CD2' ' A' ' 11' ' ' TYR . 3.6 tmtt? . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.556 1.16 . . . . 0.0 109.258 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.457 ' HA ' ' CD2' ' A' ' 11' ' ' TYR . 2.7 tt0 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.313 -0.255 . . . . 0.0 110.313 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.428 ' O ' ' N ' ' A' ' 13' ' ' GLN . 8.7 m-20 -64.85 -12.25 46.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.582 ' CE1' ' HB3' ' A' ' 12' ' ' GLU . 4.6 p90 -50.1 -20.91 1.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 111.021 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.582 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 3.8 pt-20 -100.72 -19.43 16.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 110.296 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.478 ' O ' HD11 ' A' ' 17' ' ' ILE . 0.7 OUTLIER -64.01 -11.68 31.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.273 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.926 ' O ' HD12 ' A' ' 17' ' ' ILE . 31.4 m95 -84.19 -38.26 20.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 108.003 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.846 HD11 ' HD3' ' A' ' 76' ' ' LYS . 1.1 tp -57.09 -39.27 74.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -45.96 -32.18 2.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.355 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.926 HD12 ' O ' ' A' ' 14' ' ' TRP . 0.1 OUTLIER -113.2 94.65 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.341 179.95 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.89 162.33 16.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.586 HG21 ' CA ' ' A' ' 72' ' ' TYR . 26.4 t -87.1 158.3 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.561 1.163 . . . . 0.0 109.343 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.51 ' HA ' ' C ' ' A' ' 21' ' ' PRO . 0.0 OUTLIER -108.09 154.55 41.14 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 109.951 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.51 ' C ' ' HA ' ' A' ' 20' ' ' SER . 18.1 Cg_endo -75.03 174.42 52.78 Favored 'Cis proline' 0 C--N 1.36 1.159 0 C-N-CA 121.008 -2.497 . . . . 0.0 110.99 0.034 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 4.05 5.1 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.505 1.792 . . . . 0.0 111.0 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -75.1 -14.48 60.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 110.325 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 25' ' ' ALA . . . -85.7 -12.63 71.67 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.454 1.096 . . . . 0.0 110.975 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.418 ' O ' ' CG ' ' A' ' 28' ' ' ARG . . . -39.93 -62.57 0.7 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 0.758 . . . . 0.0 109.323 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -59.06 -50.21 74.93 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.552 1.158 . . . . 0.0 110.293 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.509 ' O ' HG12 ' A' ' 30' ' ' VAL . 24.9 m -41.77 -31.01 0.27 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 110.433 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.418 ' CG ' ' O ' ' A' ' 25' ' ' ALA . 0.2 OUTLIER -42.6 -26.58 0.13 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.14 . . . . 0.0 110.289 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.415 ' N ' ' C ' ' A' ' 27' ' ' THR . 1.1 mtm-85 -64.05 -40.83 97.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.278 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.553 HG22 ' HE1' ' A' ' 59' ' ' PHE . 2.1 p -83.79 -32.95 9.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.449 HD12 ' CD2' ' A' ' 72' ' ' TYR . 9.6 mt -67.42 -57.76 8.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.141 . . . . 0.0 109.311 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 31' ' ' ILE . 15.5 mt-10 -36.1 -35.68 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 0.0 110.332 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.409 ' N ' ' O ' ' A' ' 31' ' ' ILE . 3.8 tptp -49.2 -54.11 18.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.287 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 1.113 ' CD1' HD11 ' A' ' 62' ' ' LEU . 0.5 OUTLIER -64.54 -43.57 93.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.284 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.998 ' HA ' HG12 ' A' ' 77' ' ' VAL . . . -52.33 -45.73 65.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 8.6 ttt180 -71.12 -60.75 2.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.15 . . . . 0.0 110.306 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.636 ' CZ ' HD13 ' A' ' 45' ' ' LEU . 22.6 t80 -44.47 -48.92 10.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 110.955 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 1.009 HG21 ' OH ' ' A' ' 73' ' ' TYR . 42.2 t -60.34 -75.88 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.622 ' HB3' HD12 ' A' ' 80' ' ' ILE . . . -40.96 -39.67 1.22 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -50.04 -67.11 0.29 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.306 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -85.64 -61.74 1.67 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.532 1.145 . . . . 0.0 111.03 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 38' ' ' VAL . . . 149.79 -139.44 7.39 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -33.47 4.55 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.51 1.795 . . . . 0.0 110.986 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.547 ' O ' HG23 ' A' ' 48' ' ' VAL . 0.2 OUTLIER -53.97 -30.54 47.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.353 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.636 HD13 ' CZ ' ' A' ' 37' ' ' PHE . 0.1 OUTLIER -72.92 -54.61 8.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.138 . . . . 0.0 109.281 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -49.09 -25.99 2.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 110.299 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.82 -50.94 7.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.547 HG23 ' O ' ' A' ' 44' ' ' GLU . 72.5 t -61.41 -33.41 56.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.341 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.448 ' O ' ' CD2' ' A' ' 53' ' ' TYR . . . -55.39 -46.18 76.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.138 . . . . 0.0 109.305 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 12.8 mtt -63.84 -15.89 59.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.547 1.154 . . . . 0.0 111.035 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -89.04 -44.67 10.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.132 . . . . 0.0 110.311 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.04 -38.67 88.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.448 ' CD2' ' O ' ' A' ' 49' ' ' ALA . 20.5 m-85 -102.99 18.03 22.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 111.039 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.81 -27.68 5.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -130.44 62.33 1.59 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -134.49 119.19 14.0 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.71 ' O ' HG22 ' A' ' 60' ' ' THR . 18.2 Cg_endo -74.97 -25.01 12.34 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.555 1.818 . . . . 0.0 110.981 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -75.14 -47.22 29.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.611 ' HA ' ' CE2' ' A' ' 61' ' ' PHE . 0.2 OUTLIER -96.54 22.31 8.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 110.992 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.71 HG22 ' O ' ' A' ' 57' ' ' PRO . 4.9 t -66.58 -11.7 54.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.1 . . . . 0.0 110.427 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.698 ' CE1' ' CD1' ' A' ' 62' ' ' LEU . 44.1 p90 -64.89 -14.49 59.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 111.027 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 1.113 HD11 ' CD1' ' A' ' 34' ' ' LEU . 0.4 OUTLIER -58.86 -60.07 4.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -73.36 65.72 0.89 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.632 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.426 ' O ' ' CG ' ' A' ' 70' ' ' PHE . 0.5 OUTLIER -174.18 112.66 0.17 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.305 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.549 ' HG3' ' CE2' ' A' ' 70' ' ' PHE . 0.0 OUTLIER -104.94 46.14 0.93 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 109.254 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 171.4 42.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.267 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.405 ' O ' ' HB3' ' A' ' 68' ' ' ARG . 30.2 t -100.39 -82.21 0.46 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.985 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.452 ' HG2' ' N ' ' A' ' 69' ' ' GLU . 0.6 OUTLIER 175.96 -30.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.157 . . . . 0.0 110.272 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.452 ' N ' ' HG2' ' A' ' 68' ' ' ARG . 0.3 OUTLIER -91.29 -36.77 13.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 110.281 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.549 ' CE2' ' HG3' ' A' ' 65' ' ' LYS . 73.8 t80 -69.42 -24.41 63.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.132 . . . . 0.0 111.007 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.405 ' O ' ' HG2' ' A' ' 75' ' ' ARG . 43.7 mt -73.05 -59.44 2.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.244 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.586 ' CA ' HG21 ' A' ' 19' ' ' VAL . 83.5 t80 -55.05 -35.68 64.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.463 1.102 . . . . 0.0 111.002 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 1.029 ' O ' HG13 ' A' ' 77' ' ' VAL . 1.9 t80 -52.26 -57.18 10.49 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.454 1.097 . . . . 0.0 110.981 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.401 ' O ' HG22 ' A' ' 77' ' ' VAL . 2.2 mmm180 -65.57 -15.37 62.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 110.332 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.493 ' O ' ' CD1' ' A' ' 15' ' ' LEU . 1.7 mmt85 -86.27 -22.25 26.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.332 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.846 ' HD3' HD11 ' A' ' 15' ' ' LEU . 0.4 OUTLIER -93.92 -39.69 10.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 1.029 HG13 ' O ' ' A' ' 73' ' ' TYR . 3.5 m -51.24 -46.57 33.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.103 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.406 ' N ' ' CG2' ' A' ' 77' ' ' VAL . . . -53.21 -45.49 68.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.34 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.469 ' HB2' HD22 ' A' ' 15' ' ' LEU . 11.9 tp10 -57.62 -65.92 0.55 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.498 1.123 . . . . 0.0 110.308 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.622 HD12 ' HB3' ' A' ' 39' ' ' ALA . 0.0 OUTLIER -56.74 -41.15 74.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 109.347 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.537 ' HG2' ' HB2' ' A' ' 39' ' ' ALA . 3.5 mmm180 -44.17 -68.59 0.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.31 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.581 ' HB3' ' CE2' ' A' ' 11' ' ' TYR . 1.3 mmtt . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.571 1.17 . . . . 0.0 109.287 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.434 ' O ' ' N ' ' A' ' 13' ' ' GLN . 47.6 m-20 -60.21 -16.45 33.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.584 ' CD1' ' C ' ' A' ' 11' ' ' TYR . 1.1 p90 -48.16 -25.51 1.51 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.1 . . . . 0.0 111.023 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.576 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 1.0 OUTLIER -96.26 -22.8 17.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.125 . . . . 0.0 110.304 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.434 ' N ' ' O ' ' A' ' 10' ' ' ASP . 0.1 OUTLIER -58.54 -19.58 38.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 110.286 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 24.7 m95 -73.95 -37.1 64.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 107.972 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.461 HD11 ' HG2' ' A' ' 79' ' ' GLU . 5.6 mt -55.12 -22.8 18.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -63.04 -42.72 99.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 0.0 110.327 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.589 ' H ' HD12 ' A' ' 17' ' ' ILE . 0.1 OUTLIER -102.29 94.56 3.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.454 1.096 . . . . 0.0 109.279 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.85 160.23 31.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 0.0 109.307 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.651 HG11 ' N ' ' A' ' 72' ' ' TYR . 0.9 OUTLIER -87.27 157.02 3.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.33 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.516 ' HA ' ' C ' ' A' ' 21' ' ' PRO . 5.3 p -111.1 153.51 43.88 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 110.015 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.516 ' C ' ' HA ' ' A' ' 20' ' ' SER . 18.4 Cg_endo -74.95 174.35 53.09 Favored 'Cis proline' 0 C--N 1.36 1.159 0 C-N-CA 120.999 -2.501 . . . . 0.0 111.021 -0.034 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 4.38 4.79 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.467 1.772 . . . . 0.0 111.065 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -68.69 -43.04 76.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.277 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -56.61 -18.39 23.52 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.496 1.123 . . . . 0.0 111.019 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.5 ' O ' ' CG ' ' A' ' 28' ' ' ARG . . . -45.9 -49.2 15.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 0.746 . . . . 0.0 109.304 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -68.05 -41.34 82.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 110.308 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 94.3 m -60.6 -14.84 22.63 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.51 1.131 . . . . 0.0 110.424 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.501 ' CZ ' ' OE2' ' A' ' 32' ' ' GLU . 0.0 OUTLIER -46.76 -36.65 7.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 110.244 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 9.0 mtm180 -55.51 -27.6 49.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.566 1.166 . . . . 0.0 110.338 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.484 ' CG1' ' CE2' ' A' ' 59' ' ' PHE . 99.6 t -95.27 -27.82 4.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.782 HG23 ' HB2' ' A' ' 73' ' ' TYR . 59.4 mt -74.79 -56.56 8.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.438 1.086 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.501 ' OE2' ' CZ ' ' A' ' 28' ' ' ARG . 82.0 mt-10 -41.07 -38.85 1.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 110.323 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.8 mmtm -60.65 -47.49 86.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 0.0 109.317 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 1.015 ' CD1' HD21 ' A' ' 62' ' ' LEU . 0.2 OUTLIER -63.32 -50.99 67.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.93 -40.21 88.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.3 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.401 ' O ' ' N ' ' A' ' 40' ' ' GLU . 33.5 ttt180 -65.05 -68.07 0.39 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 0.0 110.32 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.65 ' CE2' HD13 ' A' ' 45' ' ' LEU . 25.7 t80 -44.83 -43.73 8.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 111.003 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.522 HG21 ' OH ' ' A' ' 73' ' ' TYR . 23.8 t -61.89 -76.33 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.918 ' HB3' HD12 ' A' ' 80' ' ' ILE . . . -45.42 -26.68 0.58 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.332 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.422 ' N ' ' C ' ' A' ' 38' ' ' VAL . 0.5 OUTLIER -64.49 -62.61 1.49 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 110.32 179.954 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -83.84 -60.52 1.95 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.562 1.164 . . . . 0.0 111.028 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 153.09 -142.7 9.49 Favored Glycine 0 CA--C 1.529 0.952 0 N-CA-C 111.024 -0.831 . . . . 0.0 111.024 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.454 ' O ' ' N ' ' A' ' 46' ' ' GLU . 18.4 Cg_endo -75.01 -46.96 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.477 1.777 . . . . 0.0 110.99 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -42.62 -31.53 0.47 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.284 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.65 HD13 ' CE2' ' A' ' 37' ' ' PHE . 0.1 OUTLIER -68.05 -46.83 70.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 43' ' ' PRO . 2.6 tm-20 -60.33 -31.62 70.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 110.312 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.559 ' N ' ' CD ' ' A' ' 47' ' ' LYS . 0.1 OUTLIER -74.56 -36.58 63.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 109.349 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 23.7 t -77.43 -38.04 25.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -53.3 -43.74 67.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.11 . . . . 0.0 109.297 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 24.1 mtt -68.26 -12.46 61.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 111.002 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -98.26 -40.19 8.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 110.297 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.418 ' HB3' ' CE1' ' A' ' 53' ' ' TYR . 1.9 m-20 -62.58 -42.0 99.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.328 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.495 ' CD2' ' CD1' ' A' ' 59' ' ' PHE . 1.9 m-85 -108.95 31.13 5.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 110.976 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.91 -52.01 52.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -103.13 65.91 0.88 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.32 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.403 ' O ' ' HB ' ' A' ' 60' ' ' THR . 0.6 OUTLIER -135.11 120.07 13.78 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.297 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -11.34 21.44 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.494 1.786 . . . . 0.0 110.973 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -91.81 -42.56 10.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.283 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.635 ' CD1' ' CE2' ' A' ' 61' ' ' PHE . 1.3 m-85 -99.41 20.95 12.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.14 . . . . 0.0 111.015 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.403 ' HB ' ' O ' ' A' ' 56' ' ' ASN . 2.3 t -66.83 -12.64 59.79 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 110.404 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.763 ' HZ ' HD12 ' A' ' 34' ' ' LEU . 46.4 p90 -64.19 -34.28 77.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.427 1.079 . . . . 0.0 110.978 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 1.015 HD21 ' CD1' ' A' ' 34' ' ' LEU . 35.5 mt -44.12 -54.3 5.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.338 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -73.62 58.3 0.59 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 109.567 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.4 t0 171.88 115.13 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.127 . . . . 0.0 109.317 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.565 ' HD2' ' CZ ' ' A' ' 70' ' ' PHE . 8.3 mmtp -68.03 -71.24 0.22 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 54.3 m-80 -79.61 72.63 6.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.32 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -108.32 -74.58 0.65 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.02 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.454 ' HA ' ' CD2' ' A' ' 71' ' ' LEU . 10.7 ptm180 170.74 -35.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 110.323 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.472 ' HG2' ' CD1' ' A' ' 31' ' ' ILE . 1.5 mt-10 -94.67 -32.38 13.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 110.335 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.565 ' CZ ' ' HD2' ' A' ' 65' ' ' LYS . 66.9 t80 -61.99 -36.89 82.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 110.997 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.812 ' N ' HD13 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -63.51 -61.87 2.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 109.278 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.664 ' HD2' HG21 ' A' ' 31' ' ' ILE . 82.9 t80 -54.04 -29.27 43.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 111.0 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.782 ' HB2' HG23 ' A' ' 31' ' ' ILE . 0.8 OUTLIER -78.9 -16.2 57.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 0.0 110.968 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.6 mmm180 -93.35 -38.6 11.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.29 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.5 ' NH1' HG13 ' A' ' 19' ' ' VAL . 0.1 OUTLIER -67.75 -42.41 81.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 110.338 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.49 ' O ' HG22 ' A' ' 80' ' ' ILE . 0.0 OUTLIER -74.11 -32.51 63.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.341 179.941 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.669 HG23 ' O ' ' A' ' 73' ' ' TYR . 0.9 OUTLIER -49.38 -23.56 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.118 . . . . 0.0 109.281 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -86.49 -34.13 20.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' A' ' 76' ' ' LYS . 22.4 tp10 -67.3 -39.82 85.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 110.282 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.918 HD12 ' HB3' ' A' ' 39' ' ' ALA . 0.0 OUTLIER -78.42 -40.09 24.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.411 ' O ' ' C ' ' A' ' 82' ' ' LYS . 3.1 mmm180 -42.65 -60.27 1.61 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 110.328 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 81' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.444 ' O ' ' CG ' ' A' ' 12' ' ' GLU . 3.2 mt-10 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 13' ' ' GLN . 0.7 OUTLIER -44.18 -35.75 2.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.303 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.595 ' CD1' ' C ' ' A' ' 11' ' ' TYR . 0.7 OUTLIER -49.22 -24.69 1.86 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 111.017 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.444 ' CG ' ' O ' ' A' ' 9' ' ' GLU . 0.0 OUTLIER -95.48 -21.34 18.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.291 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.441 ' N ' ' O ' ' A' ' 10' ' ' ASP . 0.0 OUTLIER -63.88 -11.62 29.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.132 . . . . 0.0 110.316 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 39.1 m95 -88.51 -30.29 19.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.127 . . . . 0.0 107.988 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.731 HD11 ' HD3' ' A' ' 76' ' ' LYS . 1.0 OUTLIER -56.38 -39.6 73.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.329 179.944 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -60.78 -19.35 59.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 110.278 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.426 ' HB ' ' NH1' ' A' ' 75' ' ' ARG . 0.8 OUTLIER -109.32 94.58 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.53 156.1 25.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.607 HG21 ' CA ' ' A' ' 72' ' ' TYR . 21.8 t -88.46 130.69 37.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.493 ' HA ' ' C ' ' A' ' 21' ' ' PRO . 0.0 OUTLIER -93.21 156.66 39.95 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.955 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.493 ' C ' ' HA ' ' A' ' 20' ' ' SER . 18.3 Cg_endo -74.98 174.31 53.33 Favored 'Cis proline' 0 C--N 1.361 1.193 0 C-N-CA 120.972 -2.512 . . . . 0.0 111.043 -0.043 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 4.45 4.72 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.486 1.782 . . . . 0.0 111.003 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -71.07 -24.26 62.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 110.321 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -71.07 -12.62 71.93 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.479 1.112 . . . . 0.0 111.05 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.405 ' O ' ' CG ' ' A' ' 28' ' ' ARG . . . -57.8 -19.61 29.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 0.773 . . . . 0.0 109.356 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -78.3 -40.21 37.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.327 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.564 HG22 HG13 ' A' ' 31' ' ' ILE . 63.6 m -83.08 -14.92 52.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.413 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.405 ' CG ' ' O ' ' A' ' 25' ' ' ALA . 0.4 OUTLIER -50.42 -22.88 2.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 0.0 110.29 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.6 mtp180 -76.72 -27.12 55.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.317 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.421 ' N ' ' O ' ' A' ' 27' ' ' THR . 64.8 t -95.16 -26.36 4.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 0.0 109.281 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.564 HG13 HG22 ' A' ' 27' ' ' THR . 20.8 mt -69.9 -54.67 17.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -40.3 -35.32 0.4 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 110.318 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.4 tptp -58.54 -49.82 76.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 109.326 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.568 HD11 HD11 ' A' ' 62' ' ' LEU . 0.6 OUTLIER -54.78 -50.62 68.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.97 -54.87 42.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.293 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.465 ' O ' ' CB ' ' A' ' 40' ' ' GLU . 16.4 ttt180 -59.15 -16.45 20.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 110.259 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.604 ' O ' HD12 ' A' ' 45' ' ' LEU . 11.8 t80 -95.17 -25.56 16.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 110.981 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.535 HG21 ' OH ' ' A' ' 73' ' ' TYR . 23.7 t -94.55 -76.61 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.764 ' HB3' HD12 ' A' ' 80' ' ' ILE . . . -39.83 -29.44 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.465 ' CB ' ' O ' ' A' ' 36' ' ' ARG . 4.7 tp10 -66.24 -67.84 0.42 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 110.295 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -77.4 -64.22 2.12 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.503 1.127 . . . . 0.0 111.001 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 154.07 -145.75 13.32 Favored Glycine 0 CA--C 1.53 0.986 0 N-CA-C 110.976 -0.849 . . . . 0.0 110.976 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -29.54 8.15 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.451 1.763 . . . . 0.0 110.99 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.702 ' O ' HG23 ' A' ' 48' ' ' VAL . 0.7 OUTLIER -53.64 -31.0 45.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 0.0 110.311 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.604 HD12 ' O ' ' A' ' 37' ' ' PHE . 0.1 OUTLIER -77.16 -37.39 53.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -66.48 -22.1 66.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 110.287 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.6 mttt -92.76 -40.87 10.44 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.702 HG23 ' O ' ' A' ' 44' ' ' GLU . 93.9 t -73.76 -30.44 28.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.426 ' CB ' ' O ' ' A' ' 45' ' ' LEU . . . -63.26 -46.72 85.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 109.339 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 1.8 mtt -56.36 -20.12 17.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 110.993 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -98.16 -24.99 15.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 110.309 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.419 ' HB3' ' CE1' ' A' ' 53' ' ' TYR . 2.5 t0 -75.69 -35.89 60.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.647 ' CD2' ' CD2' ' A' ' 59' ' ' PHE . 1.9 m-85 -113.3 25.58 11.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 110.972 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 16.8 tttt -46.98 -48.11 21.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.322 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -113.21 79.41 1.23 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 0.0 109.262 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.521 ' O ' HG22 ' A' ' 60' ' ' THR . 1.4 t-20 -133.21 119.77 15.71 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.29 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.543 ' C ' HG23 ' A' ' 60' ' ' THR . 18.2 Cg_endo -74.98 -14.25 21.24 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.506 1.793 . . . . 0.0 111.0 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -98.39 -42.43 7.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 109.315 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.647 ' CD2' ' CD2' ' A' ' 53' ' ' TYR . 0.2 OUTLIER -87.44 34.39 0.7 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.477 1.11 . . . . 0.0 110.992 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.543 HG23 ' C ' ' A' ' 57' ' ' PRO . 64.4 p -71.86 -16.4 62.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 110.405 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.516 ' CZ ' HD12 ' A' ' 34' ' ' LEU . 41.1 p90 -65.24 -17.94 64.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.999 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.568 HD11 HD11 ' A' ' 34' ' ' LEU . 0.9 OUTLIER -50.96 -71.21 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.411 ' CD2' ' H ' ' A' ' 63' ' ' HIS . 7.3 m-70 -43.83 -68.12 0.22 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 109.604 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -39.86 127.67 2.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.245 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.599 ' HA ' ' CD2' ' A' ' 70' ' ' PHE . 6.7 mttt -121.51 39.03 3.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.334 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.589 ' HA ' HD21 ' A' ' 71' ' ' LEU . 0.9 OUTLIER 172.46 50.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 109.282 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.431 ' O ' ' HB3' ' A' ' 68' ' ' ARG . 1.3 t -106.31 -72.28 0.72 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.981 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.498 ' HG2' ' N ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER 173.41 -30.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 110.304 -179.941 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.498 ' N ' ' HG2' ' A' ' 68' ' ' ARG . 1.2 mp0 -88.66 -38.98 14.37 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.466 1.104 . . . . 0.0 110.295 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.599 ' CD2' ' HA ' ' A' ' 65' ' ' LYS . 93.1 t80 -64.32 -41.01 97.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 111.004 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.692 HD22 ' H ' ' A' ' 71' ' ' LEU . 1.7 mm? -67.63 -40.81 84.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.607 ' CA ' HG21 ' A' ' 19' ' ' VAL . 78.3 t80 -62.89 -37.53 87.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 110.955 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.666 ' O ' HG23 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -60.71 -20.0 60.09 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.966 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 7.4 mtm180 -92.92 -12.98 29.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.309 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.426 ' NH1' ' HB ' ' A' ' 17' ' ' ILE . 25.9 mmt180 -78.19 -75.87 0.21 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.557 1.161 . . . . 0.0 110.338 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.731 ' HD3' HD11 ' A' ' 15' ' ' LEU . 0.4 OUTLIER -46.82 -32.53 3.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.283 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.666 HG23 ' O ' ' A' ' 73' ' ' TYR . 1.2 t -44.66 -53.77 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.138 . . . . 0.0 109.293 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -52.47 -34.09 47.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 76' ' ' LYS . 1.4 tm-20 -66.31 -62.74 1.31 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 110.28 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.764 HD12 ' HB3' ' A' ' 39' ' ' ALA . 0.0 OUTLIER -59.04 -34.19 52.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.309 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.421 ' HG2' ' CB ' ' A' ' 39' ' ' ALA . 9.2 mmm180 -49.27 -61.35 2.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.487 1.117 . . . . 0.0 110.276 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.504 ' C ' ' CD ' ' A' ' 82' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.453 ' HA ' ' CD2' ' A' ' 11' ' ' TYR . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 110.272 -0.27 . . . . 0.0 110.272 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.425 ' O ' ' N ' ' A' ' 13' ' ' GLN . 12.0 m-20 -48.84 -24.01 1.29 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.449 1.093 . . . . 0.0 109.289 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.573 ' CE2' ' HG3' ' A' ' 82' ' ' LYS . 2.8 p90 -50.43 -23.55 2.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 110.972 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.524 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 0.4 OUTLIER -95.54 -19.32 19.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 110.343 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.425 ' N ' ' O ' ' A' ' 10' ' ' ASP . 0.2 OUTLIER -63.8 -12.47 35.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 110.263 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.475 ' HA ' ' CD1' ' A' ' 17' ' ' ILE . 32.6 m95 -82.38 -11.38 58.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 0.0 108.035 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.538 ' CD2' ' HG2' ' A' ' 76' ' ' LYS . 40.0 mt -75.25 -32.99 61.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 109.312 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -55.68 -34.33 64.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 110.278 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.641 ' H ' HD12 ' A' ' 17' ' ' ILE . 0.2 OUTLIER -113.52 97.35 5.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 179.951 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.9 160.51 28.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.695 HG11 ' HB2' ' A' ' 71' ' ' LEU . 97.9 t -87.29 122.92 39.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.296 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.513 ' CB ' ' HA ' ' A' ' 21' ' ' PRO . 0.6 OUTLIER -77.29 161.3 73.28 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.014 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.513 ' HA ' ' CB ' ' A' ' 20' ' ' SER . 18.3 Cg_endo -74.99 174.14 54.22 Favored 'Cis proline' 0 C--N 1.359 1.128 0 C-N-CA 121.016 -2.493 . . . . 0.0 111.018 -0.019 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 4.01 5.1 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.467 1.772 . . . . 0.0 111.0 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -69.94 -23.78 63.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 110.332 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.432 ' O ' ' N ' ' A' ' 28' ' ' ARG . . . -59.38 -14.58 27.68 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.492 1.12 . . . . 0.0 110.978 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -44.04 -34.63 1.81 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 0.775 . . . . 0.0 109.301 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -85.14 -61.26 1.81 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.431 1.082 . . . . 0.0 110.295 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.751 ' O ' HG12 ' A' ' 30' ' ' VAL . 3.4 m -49.92 -21.65 1.25 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.428 1.08 . . . . 0.0 110.399 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.432 ' N ' ' O ' ' A' ' 24' ' ' GLY . 5.9 tmm_? -49.9 -24.08 2.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.103 . . . . 0.0 110.329 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 44.7 mtp180 -74.43 -28.55 61.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.296 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.751 HG12 ' O ' ' A' ' 27' ' ' THR . 8.4 p -95.33 -26.48 4.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.356 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.675 HG23 ' HB2' ' A' ' 73' ' ' TYR . 58.9 mt -74.53 -64.4 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.567 1.167 . . . . 0.0 109.306 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.432 ' O ' ' N ' ' A' ' 36' ' ' ARG . 7.7 mm-40 -38.18 -36.84 0.24 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.327 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.476 ' O ' ' N ' ' A' ' 37' ' ' PHE . 0.1 OUTLIER -50.09 -52.7 32.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.322 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.545 HD22 ' HE2' ' A' ' 59' ' ' PHE . 17.4 tp -60.38 -35.82 76.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.45 ' HA ' HG22 ' A' ' 77' ' ' VAL . . . -71.42 -27.94 63.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.499 ' O ' ' CG ' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -89.02 -26.33 21.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 0.0 110.294 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.476 ' N ' ' O ' ' A' ' 33' ' ' LYS . 44.7 t80 -83.22 -45.38 13.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.123 . . . . 0.0 111.032 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.668 HG21 ' OH ' ' A' ' 73' ' ' TYR . 11.3 t -67.91 -72.63 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.621 ' HB3' HD12 ' A' ' 80' ' ' ILE . . . -40.1 -32.36 0.17 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 109.336 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.499 ' CG ' ' O ' ' A' ' 36' ' ' ARG . 2.7 mm-40 -55.25 -64.87 0.7 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.097 . . . . 0.0 110.294 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -85.17 -58.1 2.14 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.449 1.093 . . . . 0.0 111.051 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 147.22 -142.74 10.54 Favored Glycine 0 CA--C 1.53 0.981 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -26.23 11.25 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.476 1.777 . . . . 0.0 111.055 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.871 ' O ' HG23 ' A' ' 48' ' ' VAL . 6.9 tt0 -57.9 -31.51 66.83 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.526 1.141 . . . . 0.0 110.27 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.569 ' CD2' ' N ' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -75.63 -35.85 60.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 109.287 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -67.27 -34.46 77.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.096 . . . . 0.0 110.281 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.5 mttt -77.96 -34.03 51.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.871 HG23 ' O ' ' A' ' 44' ' ' GLU . 78.5 t -80.43 -28.93 11.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.538 1.149 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.43 ' N ' ' O ' ' A' ' 45' ' ' LEU . . . -62.28 -46.08 90.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.568 1.168 . . . . 0.0 109.334 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.91 -19.44 12.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 111.013 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -97.61 -40.04 8.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 110.313 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.523 ' HB3' ' CD1' ' A' ' 53' ' ' TYR . 5.1 t70 -61.33 -43.24 99.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.267 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.561 ' N ' ' CD1' ' A' ' 53' ' ' TYR . 0.8 OUTLIER -109.53 30.02 7.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 111.02 -179.946 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 29.1 tttt -49.52 -25.34 2.61 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.472 1.108 . . . . 0.0 109.324 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -131.74 84.96 2.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.597 ' O ' HG22 ' A' ' 60' ' ' THR . 0.5 OUTLIER -135.09 119.19 13.34 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 109.306 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.508 ' C ' HG23 ' A' ' 60' ' ' THR . 18.1 Cg_endo -75.04 -16.43 20.13 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.462 1.77 . . . . 0.0 110.997 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -99.83 -43.63 6.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.567 ' HE1' HG22 ' A' ' 30' ' ' VAL . 0.2 OUTLIER -86.91 34.47 0.67 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 111.002 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.597 HG22 ' O ' ' A' ' 56' ' ' ASN . 68.3 p -69.36 -11.9 61.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.11 . . . . 0.0 110.422 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.534 ' CE1' ' HA ' ' A' ' 59' ' ' PHE . 44.5 p90 -72.82 -17.83 61.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.963 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.499 ' HA ' HD12 ' A' ' 62' ' ' LEU . 1.4 tp -51.41 -71.36 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.424 ' CD2' ' H ' ' A' ' 63' ' ' HIS . 4.5 m-70 -55.23 -66.06 0.48 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.155 . . . . 0.0 109.625 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -64.97 91.63 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.57 ' HG3' ' CZ ' ' A' ' 70' ' ' PHE . 0.1 OUTLIER -58.72 -58.59 7.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.292 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 16.5 m-80 -73.74 63.39 0.86 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.559 1.162 . . . . 0.0 109.302 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.406 ' O ' ' HB3' ' A' ' 68' ' ' ARG . 34.9 t -108.42 -79.72 0.58 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 110.043 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.475 ' HG2' ' N ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER 174.33 -30.62 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 110.245 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.475 ' N ' ' HG2' ' A' ' 68' ' ' ARG . 0.2 OUTLIER -87.94 -42.57 12.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.291 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.57 ' CZ ' ' HG3' ' A' ' 65' ' ' LYS . 79.6 t80 -52.54 -43.75 65.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 110.983 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.731 ' N ' HD13 ' A' ' 71' ' ' LEU . 0.1 OUTLIER -64.04 -60.16 3.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.429 ' HD2' HG21 ' A' ' 31' ' ' ILE . 49.6 t80 -50.56 -25.51 4.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 111.003 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.675 ' HB2' HG23 ' A' ' 31' ' ' ILE . 0.5 OUTLIER -81.74 -48.5 11.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 110.984 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.66 -18.97 65.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 110.245 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.608 ' HG3' HG23 ' A' ' 19' ' ' VAL . 69.7 mmt-85 -67.75 -76.72 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 110.27 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.538 ' HG2' ' CD2' ' A' ' 15' ' ' LEU . 0.3 OUTLIER -53.58 -25.39 17.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.501 HG23 ' O ' ' A' ' 73' ' ' TYR . 0.9 OUTLIER -48.19 -36.69 6.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 0.0 109.298 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -74.42 -31.0 62.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.466 ' N ' ' O ' ' A' ' 76' ' ' LYS . 15.8 tp10 -71.08 -51.49 24.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.246 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.621 HD12 ' HB3' ' A' ' 39' ' ' ALA . 0.0 OUTLIER -68.24 -39.31 80.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.15 . . . . 0.0 109.292 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 5.2 mmm180 -39.01 -59.1 1.02 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.312 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.573 ' HG3' ' CE2' ' A' ' 11' ' ' TYR . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.41 ' C ' ' N ' ' A' ' 11' ' ' TYR . 15.2 tt0 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.346 -0.242 . . . . 0.0 110.346 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.454 ' O ' ' N ' ' A' ' 13' ' ' GLN . 31.7 m-20 -45.2 -27.7 0.66 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.329 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.546 ' CD1' ' C ' ' A' ' 11' ' ' TYR . 2.3 p90 -47.63 -23.44 0.67 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.986 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.473 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 9.6 pt-20 -97.14 -25.16 15.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.291 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.454 ' N ' ' O ' ' A' ' 10' ' ' ASP . 0.1 OUTLIER -61.51 -13.86 24.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.103 . . . . 0.0 110.275 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 27.1 m95 -83.86 -36.77 23.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 108.009 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.624 HD11 ' HD3' ' A' ' 76' ' ' LYS . 0.5 OUTLIER -52.67 -36.94 57.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -59.2 -19.53 46.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 110.255 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -113.2 93.93 2.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 109.344 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.41 156.02 28.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.118 . . . . 0.0 109.313 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.514 HG11 ' N ' ' A' ' 72' ' ' TYR . 0.9 OUTLIER -88.54 157.14 3.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.11 . . . . 0.0 109.252 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.499 ' HA ' ' C ' ' A' ' 21' ' ' PRO . 0.0 OUTLIER -101.3 152.84 38.04 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.556 1.16 . . . . 0.0 110.029 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.499 ' C ' ' HA ' ' A' ' 20' ' ' SER . 18.3 Cg_endo -75.09 174.37 53.08 Favored 'Cis proline' 0 C--N 1.36 1.144 0 C-N-CA 120.973 -2.511 . . . . 0.0 110.998 0.076 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 4.6 4.63 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.499 1.789 . . . . 0.0 110.966 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -75.38 -25.01 57.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 110.289 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -65.35 -12.86 57.04 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.519 1.137 . . . . 0.0 110.983 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.467 ' O ' ' CG ' ' A' ' 28' ' ' ARG . . . -45.31 -74.58 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.525 0.779 . . . . 0.0 109.285 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -46.97 -43.81 19.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.34 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.639 HG21 ' CD ' ' A' ' 69' ' ' GLU . 1.6 m -51.53 -24.51 5.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.155 . . . . 0.0 110.395 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.467 ' CG ' ' O ' ' A' ' 25' ' ' ALA . 0.3 OUTLIER -44.39 -25.66 0.27 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 110.261 -179.942 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.405 ' N ' ' C ' ' A' ' 27' ' ' THR . 29.1 mtm180 -66.96 -42.3 85.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 110.348 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.565 HG12 HG22 ' A' ' 27' ' ' THR . 1.9 p -82.6 -32.12 10.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.325 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.659 HG21 ' HD2' ' A' ' 72' ' ' TYR . 65.9 mt -67.23 -58.16 7.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -43.74 -36.43 2.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 110.283 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.4 tptt -50.67 -53.19 33.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.449 1.093 . . . . 0.0 109.305 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 1.103 HD11 HD21 ' A' ' 62' ' ' LEU . 0.4 OUTLIER -61.94 -46.08 90.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.32 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.592 ' CB ' HG12 ' A' ' 77' ' ' VAL . . . -52.42 -51.2 60.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 109.322 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.415 ' O ' ' CB ' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -64.72 -15.85 62.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 110.284 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.549 ' O ' HD12 ' A' ' 45' ' ' LEU . 11.8 t80 -95.12 -24.05 17.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.987 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.951 HG21 ' OH ' ' A' ' 73' ' ' TYR . 25.6 t -91.33 -76.58 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.725 ' HB3' HD12 ' A' ' 80' ' ' ILE . . . -40.7 -28.87 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.446 ' N ' ' C ' ' A' ' 38' ' ' VAL . 2.7 tt0 -65.38 -62.11 1.72 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 110.335 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -85.85 -58.34 2.03 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.493 1.121 . . . . 0.0 110.994 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 38' ' ' VAL . . . 147.8 -144.47 12.46 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 110.984 -0.847 . . . . 0.0 110.984 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -33.65 4.37 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.508 1.793 . . . . 0.0 110.958 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.52 ' O ' HG23 ' A' ' 48' ' ' VAL . 0.2 OUTLIER -48.58 -35.95 14.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 110.313 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.549 HD12 ' O ' ' A' ' 37' ' ' PHE . 0.1 OUTLIER -71.18 -59.29 2.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.297 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -40.21 -29.79 0.08 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.098 . . . . 0.0 110.314 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.421 ' N ' ' C ' ' A' ' 45' ' ' LEU . 0.2 OUTLIER -84.04 -51.8 6.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.263 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.52 HG23 ' O ' ' A' ' 44' ' ' GLU . 47.8 t -56.78 -40.35 70.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -48.54 -49.97 34.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 109.277 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 11.8 mtt -58.44 -17.1 18.16 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.549 1.156 . . . . 0.0 111.037 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -96.93 -49.82 4.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.305 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -53.92 -32.7 54.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.338 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -121.11 30.77 6.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 0.0 111.047 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.1 tptp -46.95 -43.93 19.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -109.51 76.09 0.98 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.268 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.695 ' O ' HG22 ' A' ' 60' ' ' THR . 1.4 t-20 -133.09 119.22 15.55 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.523 ' C ' HG23 ' A' ' 60' ' ' THR . 18.3 Cg_endo -75.0 -14.33 21.15 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.499 1.789 . . . . 0.0 111.037 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -98.33 -45.03 6.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.266 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.504 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 0.5 OUTLIER -86.45 37.11 0.72 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 111.037 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.695 HG22 ' O ' ' A' ' 56' ' ' ASN . 64.0 p -76.06 -12.3 60.1 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.445 1.091 . . . . 0.0 110.349 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.504 ' CE1' ' HA ' ' A' ' 59' ' ' PHE . 48.4 p90 -67.23 -33.53 75.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 111.02 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 1.103 HD21 HD11 ' A' ' 34' ' ' LEU . 11.0 mt -45.97 -68.02 0.23 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 12.6 m-70 -51.51 -64.0 0.95 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.615 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -67.11 90.35 0.2 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 0.0 109.267 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.48 ' HG2' ' CZ ' ' A' ' 70' ' ' PHE . 31.7 mtpt -57.8 -25.15 60.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 109.284 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 38.8 p30 -110.07 60.67 0.6 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 109.306 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.425 ' O ' ' HB3' ' A' ' 68' ' ' ARG . 37.9 t -102.84 -77.56 0.56 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.502 1.126 . . . . 0.0 110.037 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.49 ' HG2' ' N ' ' A' ' 69' ' ' GLU . 0.1 OUTLIER 174.73 -29.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.297 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.639 ' CD ' HG21 ' A' ' 27' ' ' THR . 0.4 OUTLIER -92.13 -42.76 9.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.315 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.48 ' CZ ' ' HG2' ' A' ' 65' ' ' LYS . 63.7 t80 -57.26 -25.21 58.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.537 1.148 . . . . 0.0 110.955 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.424 ' C ' HG11 ' A' ' 19' ' ' VAL . 19.1 mt -73.59 -60.85 2.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 109.332 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.659 ' HD2' HG21 ' A' ' 31' ' ' ILE . 78.5 t80 -57.7 -26.23 61.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 111.012 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 1.038 ' O ' HG13 ' A' ' 77' ' ' VAL . 2.6 t80 -60.09 -60.09 4.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 110.99 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.467 ' HG2' ' CE2' ' A' ' 73' ' ' TYR . 9.6 mmm-85 -63.47 -14.26 48.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 110.301 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.494 ' O ' ' CD1' ' A' ' 15' ' ' LEU . 11.3 mmt180 -86.99 -25.59 24.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 110.342 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.624 ' HD3' HD11 ' A' ' 15' ' ' LEU . 0.5 OUTLIER -91.69 -41.44 10.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.294 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 1.038 HG13 ' O ' ' A' ' 73' ' ' TYR . 4.3 m -46.93 -50.72 5.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 109.29 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.479 ' N ' HG23 ' A' ' 77' ' ' VAL . . . -48.76 -27.86 3.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.125 . . . . 0.0 109.347 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.541 ' HG2' HD22 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -70.22 -58.06 4.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.314 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.725 HD12 ' HB3' ' A' ' 39' ' ' ALA . 0.0 OUTLIER -67.21 -34.3 68.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.453 ' HG2' ' CB ' ' A' ' 39' ' ' ALA . 6.7 mmm180 -43.32 -49.28 6.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 110.297 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.272 -0.27 . . . . 0.0 110.272 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.459 ' O ' ' N ' ' A' ' 13' ' ' GLN . 11.2 m-20 -42.6 -32.74 0.6 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.572 ' CD1' ' C ' ' A' ' 11' ' ' TYR . 1.8 p90 -47.37 -23.23 0.55 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 110.991 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.774 ' OE1' HD12 ' A' ' 15' ' ' LEU . 16.8 tp10 -96.96 -26.41 15.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.257 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.459 ' N ' ' O ' ' A' ' 10' ' ' ASP . 1.5 pt20 -63.24 -12.09 26.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.318 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 29.3 m95 -88.33 -20.93 24.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 108.036 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.774 HD12 ' OE1' ' A' ' 12' ' ' GLU . 24.3 mt -69.9 -26.1 64.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -64.11 -36.17 83.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.282 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -101.73 94.68 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 27.8 mmtm -83.71 158.62 21.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.317 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.501 HG11 ' N ' ' A' ' 72' ' ' TYR . 0.8 OUTLIER -88.49 156.77 3.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.263 -179.945 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.505 ' HA ' ' C ' ' A' ' 21' ' ' PRO . 6.3 m -103.04 154.98 37.18 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.431 1.082 . . . . 0.0 110.0 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.505 ' C ' ' HA ' ' A' ' 20' ' ' SER . 18.2 Cg_endo -75.0 174.57 52.04 Favored 'Cis proline' 0 C--N 1.36 1.141 0 C-N-CA 120.995 -2.502 . . . . 0.0 110.99 0.013 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 4.04 5.1 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.482 1.78 . . . . 0.0 110.981 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -69.61 -26.93 64.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 110.353 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -56.11 -16.97 15.4 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.523 1.139 . . . . 0.0 111.025 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -48.16 -38.77 18.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 0.77 . . . . 0.0 109.348 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -76.37 -54.0 7.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 110.292 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.851 HG22 HG12 ' A' ' 30' ' ' VAL . 1.4 m -56.2 -18.48 10.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 110.422 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.493 ' C ' ' CD ' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -42.69 -26.74 0.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 110.286 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.409 ' N ' ' C ' ' A' ' 27' ' ' THR . 1.5 mtp180 -69.59 -49.74 51.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 110.32 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.851 HG12 HG22 ' A' ' 27' ' ' THR . 1.4 p -76.03 -30.63 20.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.29 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.728 HG23 ' HB2' ' A' ' 73' ' ' TYR . 68.5 mt -65.04 -51.93 60.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.115 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -67.62 -24.82 65.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.249 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.0 tptp -59.05 -35.19 72.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.34 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.599 HD11 HD21 ' A' ' 62' ' ' LEU . 0.3 OUTLIER -76.68 -58.48 3.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 109.326 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.448 ' HB1' HG21 ' A' ' 80' ' ' ILE . . . -47.07 -50.08 20.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.341 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.478 ' HA ' ' CD1' ' A' ' 80' ' ' ILE . 0.0 OUTLIER -56.87 -25.29 56.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.307 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.464 ' O ' HD12 ' A' ' 45' ' ' LEU . 14.0 t80 -93.72 -30.02 15.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 110.995 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.595 HG23 HD22 ' A' ' 34' ' ' LEU . 25.4 t -81.0 -75.87 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.453 ' CB ' ' HG2' ' A' ' 81' ' ' ARG . . . -40.13 -30.2 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.44 ' N ' ' C ' ' A' ' 38' ' ' VAL . 1.7 tt0 -64.03 -64.36 0.91 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 110.312 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -78.4 -58.72 3.05 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.503 1.127 . . . . 0.0 111.055 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 145.11 -144.08 12.68 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -36.41 2.58 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.542 1.811 . . . . 0.0 111.003 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -48.59 -31.45 6.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 110.281 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.539 ' CD2' ' N ' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -72.46 -62.78 1.32 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 109.295 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.1 tm-20 -39.6 -29.94 0.06 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.112 . . . . 0.0 110.297 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.409 ' N ' ' O ' ' A' ' 45' ' ' LEU . 2.0 mttt -80.48 -57.96 3.34 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.542 1.151 . . . . 0.0 109.308 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 40.2 t -54.77 -38.37 43.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.273 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.465 ' O ' ' CD2' ' A' ' 53' ' ' TYR . . . -53.63 -54.47 37.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.441 ' HA ' HD13 ' A' ' 62' ' ' LEU . 1.8 mtt -55.28 -17.54 4.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 111.046 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -98.21 -36.83 9.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.295 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -64.8 -25.41 67.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.568 1.168 . . . . 0.0 109.255 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.585 ' CD2' ' CD2' ' A' ' 59' ' ' PHE . 5.0 m-85 -125.61 29.62 5.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 0.0 111.004 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.4 ttmt -47.92 -28.61 2.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.311 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 -130.65 76.32 1.71 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.519 1.137 . . . . 0.0 109.27 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.487 ' O ' HG22 ' A' ' 60' ' ' THR . 2.6 t-20 -135.41 120.24 13.54 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.266 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.547 ' C ' HG23 ' A' ' 60' ' ' THR . 18.1 Cg_endo -75.05 -8.45 20.03 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.512 1.796 . . . . 0.0 110.984 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -99.61 -43.72 6.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.585 ' CD2' ' CD2' ' A' ' 53' ' ' TYR . 0.2 OUTLIER -88.23 33.65 0.74 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 111.012 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.547 HG23 ' C ' ' A' ' 57' ' ' PRO . 58.2 p -72.78 -12.58 61.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 110.382 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.593 ' CZ ' HD12 ' A' ' 34' ' ' LEU . 43.3 p90 -69.67 -33.67 72.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 111.013 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.599 HD21 HD11 ' A' ' 34' ' ' LEU . 6.5 mt -43.7 -68.49 0.19 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 109.337 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -69.27 68.29 0.2 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 109.584 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.424 ' N ' ' O ' ' A' ' 62' ' ' LEU . 2.0 t0 172.39 115.82 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.571 ' HA ' ' CD1' ' A' ' 70' ' ' PHE . 0.2 OUTLIER -79.06 -74.68 0.27 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.514 1.134 . . . . 0.0 109.248 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 26.2 p30 -77.77 73.69 4.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.323 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 11.2 t -116.24 -76.46 0.57 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.991 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.426 ' O ' HG21 ' A' ' 19' ' ' VAL . 0.0 OUTLIER 170.71 -32.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.293 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -94.13 -39.27 10.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.437 1.086 . . . . 0.0 110.336 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.571 ' CD1' ' HA ' ' A' ' 65' ' ' LYS . 41.0 t80 -65.44 -16.91 64.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.467 1.104 . . . . 0.0 111.006 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 11.9 mt -85.29 -65.6 0.99 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.569 ' HD2' HG21 ' A' ' 31' ' ' ILE . 67.5 t80 -51.86 -23.06 4.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 110.968 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.967 ' O ' HG23 ' A' ' 77' ' ' VAL . 1.7 t80 -76.09 -32.33 59.17 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.482 1.114 . . . . 0.0 110.986 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.91 -20.42 27.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 110.331 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 21.6 mmt180 -74.17 -32.78 63.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 110.306 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.547 ' HG2' ' CD2' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -93.36 -22.23 19.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.098 . . . . 0.0 109.261 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.967 HG23 ' O ' ' A' ' 73' ' ' TYR . 1.9 t -48.75 -33.51 5.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -76.07 -31.26 58.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.157 . . . . 0.0 109.301 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.597 ' HG3' HD11 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -70.23 -49.07 53.85 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.504 1.128 . . . . 0.0 110.311 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.478 ' CD1' ' HA ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -72.37 -35.48 52.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.459 ' CG ' ' O ' ' A' ' 77' ' ' VAL . 7.1 mmm-85 -48.23 -55.72 9.78 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 110.276 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.449 ' HD3' ' CD2' ' A' ' 11' ' ' TYR . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.258 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.438 ' HA ' ' CD2' ' A' ' 11' ' ' TYR . 4.7 mt-10 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.44 ' O ' ' N ' ' A' ' 13' ' ' GLN . 27.3 m-20 -57.78 -17.26 14.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.563 ' CE2' ' CB ' ' A' ' 82' ' ' LYS . 3.2 p90 -49.38 -23.79 1.63 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 111.002 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.487 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 1.8 pt-20 -94.09 -22.68 18.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.356 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.44 ' N ' ' O ' ' A' ' 10' ' ' ASP . 0.2 OUTLIER -60.54 -14.11 17.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.324 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.641 ' O ' HD12 ' A' ' 17' ' ' ILE . 27.9 m95 -79.89 -27.73 39.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 108.01 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.723 HD11 ' HD3' ' A' ' 76' ' ' LYS . 5.2 mt -62.81 -16.16 57.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -68.13 -32.77 73.29 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.465 1.103 . . . . 0.0 110.265 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.645 ' H ' HD12 ' A' ' 17' ' ' ILE . 0.1 OUTLIER -110.52 92.32 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.34 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.84 168.78 0.85 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.271 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.797 HG21 ' HB2' ' A' ' 72' ' ' TYR . 14.1 m -86.62 160.52 3.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 109.314 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.514 ' HA ' ' C ' ' A' ' 21' ' ' PRO . 0.8 OUTLIER -128.19 151.45 76.22 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.549 1.156 . . . . 0.0 110.006 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.514 ' C ' ' HA ' ' A' ' 20' ' ' SER . 18.5 Cg_endo -74.94 174.51 52.25 Favored 'Cis proline' 0 C--N 1.36 1.177 0 C-N-CA 120.967 -2.514 . . . . 0.0 111.027 -0.065 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 4.21 4.95 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.489 1.784 . . . . 0.0 111.002 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -75.7 -18.33 59.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 110.276 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -82.29 -12.62 80.38 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.483 1.114 . . . . 0.0 111.017 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.426 ' O ' ' CG ' ' A' ' 28' ' ' ARG . . . -56.43 -18.53 11.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 0.782 . . . . 0.0 109.305 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -73.68 -35.15 65.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.445 1.091 . . . . 0.0 110.279 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.709 HG22 HG12 ' A' ' 30' ' ' VAL . 1.6 m -88.94 -25.93 21.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 110.351 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.575 ' HB2' ' CE2' ' A' ' 72' ' ' TYR . 0.0 OUTLIER -38.91 -29.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.296 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 27' ' ' THR . 61.7 mtp180 -68.63 -55.74 10.51 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.538 1.149 . . . . 0.0 110.301 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.709 HG12 HG22 ' A' ' 27' ' ' THR . 1.4 p -63.19 -32.35 56.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.566 1.167 . . . . 0.0 109.344 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.46 ' CG2' ' HA ' ' A' ' 73' ' ' TYR . 5.5 mt -66.28 -45.41 89.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -41.61 -42.99 2.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.142 . . . . 0.0 110.37 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.46 ' O ' ' N ' ' A' ' 37' ' ' PHE . 7.0 mmmt -64.65 -43.16 94.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.334 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.857 HD11 HD21 ' A' ' 62' ' ' LEU . 0.8 OUTLIER -56.93 -52.0 66.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.81 -50.9 72.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 109.321 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.467 ' O ' ' CG ' ' A' ' 40' ' ' GLU . 68.6 ttt180 -61.41 -32.57 72.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.297 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.46 ' N ' ' O ' ' A' ' 33' ' ' LYS . 27.2 t80 -74.98 -46.16 37.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 111.022 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.426 HG12 ' N ' ' A' ' 39' ' ' ALA . 3.8 t -67.41 -70.72 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.1 . . . . 0.0 109.292 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.904 ' HB3' HD12 ' A' ' 80' ' ' ILE . . . -39.6 -37.96 0.56 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.432 1.083 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.467 ' CG ' ' O ' ' A' ' 36' ' ' ARG . 1.4 mm-40 -50.94 -66.29 0.41 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 110.289 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -84.53 -62.94 1.66 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.523 1.139 . . . . 0.0 111.0 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 152.29 -141.61 8.64 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -30.35 7.25 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.478 1.778 . . . . 0.0 110.988 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.45 ' O ' HG23 ' A' ' 48' ' ' VAL . 3.1 tt0 -54.97 -33.1 62.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.287 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.56 ' CD2' ' N ' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -71.11 -52.59 18.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.343 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.07 -27.98 9.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.277 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.24 -49.31 12.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.324 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 44' ' ' GLU . 53.9 t -60.5 -41.66 88.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -53.66 -49.54 67.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 3.1 mtt -47.43 -23.07 0.53 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 111.043 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -96.28 -33.81 11.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.311 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 36.0 t0 -66.66 -41.95 87.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.807 ' CD2' ' CD2' ' A' ' 59' ' ' PHE . 8.6 m-85 -109.34 28.97 7.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 111.012 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.4 ttmt -50.66 -55.2 17.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -110.85 77.74 1.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.329 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -135.32 119.82 13.42 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.551 ' C ' HG23 ' A' ' 60' ' ' THR . 18.2 Cg_endo -74.96 -3.3 13.72 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.503 1.791 . . . . 0.0 110.988 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -99.77 -46.43 5.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.807 ' CD2' ' CD2' ' A' ' 53' ' ' TYR . 0.7 OUTLIER -87.96 32.27 0.75 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 110.984 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.551 HG23 ' C ' ' A' ' 57' ' ' PRO . 74.6 p -68.59 -12.19 60.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.406 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.755 ' HZ ' HD12 ' A' ' 34' ' ' LEU . 46.2 p90 -70.64 -36.14 73.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.96 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.857 HD21 HD11 ' A' ' 34' ' ' LEU . 7.2 mt -39.61 -69.3 0.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 15.3 m-70 -42.67 -55.03 3.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.572 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -52.98 140.61 24.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.591 ' HA ' ' CD1' ' A' ' 70' ' ' PHE . 11.1 mtmt -138.75 42.8 2.13 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 171.68 41.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 109.279 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.3 t -110.14 -70.45 0.81 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 110.012 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.777 ' HA ' HD12 ' A' ' 71' ' ' LEU . 0.0 OUTLIER 174.79 -32.15 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.488 1.117 . . . . 0.0 110.315 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.487 ' N ' ' HG2' ' A' ' 68' ' ' ARG . 0.5 OUTLIER -79.66 -49.75 11.66 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 0.0 110.289 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.591 ' CD1' ' HA ' ' A' ' 65' ' ' LYS . 34.8 t80 -61.43 -17.35 53.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 111.007 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.777 HD12 ' HA ' ' A' ' 68' ' ' ARG . 18.2 mt -79.8 -54.94 5.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.438 1.086 . . . . 0.0 109.237 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.797 ' HB2' HG21 ' A' ' 19' ' ' VAL . 89.5 t80 -57.76 -37.15 73.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 110.97 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.773 ' O ' HG23 ' A' ' 77' ' ' VAL . 0.8 OUTLIER -54.1 -52.7 60.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 111.012 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.71 -20.55 59.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.304 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.544 ' NH2' ' O ' ' A' ' 17' ' ' ILE . 2.3 mmm180 -68.24 -77.47 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.281 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.723 ' HD3' HD11 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -49.13 -25.26 2.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.773 HG23 ' O ' ' A' ' 73' ' ' TYR . 1.2 t -51.34 -26.19 5.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -80.45 -30.82 37.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.355 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.493 ' HA ' ' CE1' ' A' ' 11' ' ' TYR . 35.7 tp10 -73.39 -55.6 6.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.269 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.904 HD12 ' HB3' ' A' ' 39' ' ' ALA . 0.0 OUTLIER -61.1 -40.11 84.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.406 ' CG ' ' O ' ' A' ' 77' ' ' VAL . 1.7 mmm180 -47.5 -68.52 0.18 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.116 . . . . 0.0 110.311 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.563 ' CB ' ' CE2' ' A' ' 11' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.137 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.482 ' O ' ' CG ' ' A' ' 12' ' ' GLU . 34.1 mt-10 . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.484 ' O ' ' N ' ' A' ' 13' ' ' GLN . 24.2 m-20 -41.01 -52.81 3.1 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.453 1.096 . . . . 0.0 109.312 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.571 ' CE1' ' HB3' ' A' ' 12' ' ' GLU . 0.2 OUTLIER -38.46 -29.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 110.991 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.571 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 2.7 pt-20 -110.58 -23.05 11.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.329 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.484 ' N ' ' O ' ' A' ' 10' ' ' ASP . 0.3 OUTLIER -73.19 -16.52 61.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.311 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 21.5 m95 -81.03 -8.76 59.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.155 . . . . 0.0 108.003 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.723 HD11 ' HG3' ' A' ' 79' ' ' GLU . 34.4 mt -77.42 -24.06 50.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -67.8 -47.03 70.25 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 110.276 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.452 ' H ' HD12 ' A' ' 17' ' ' ILE . 0.2 OUTLIER -92.13 95.22 5.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.269 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.16 159.43 27.41 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.468 1.105 . . . . 0.0 109.328 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.582 HG11 ' C ' ' A' ' 71' ' ' LEU . 3.0 m -87.2 166.93 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.502 ' HA ' ' C ' ' A' ' 21' ' ' PRO . 59.1 m -112.37 150.8 43.12 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 0.0 110.052 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.502 ' C ' ' HA ' ' A' ' 20' ' ' SER . 18.4 Cg_endo -75.0 174.28 53.53 Favored 'Cis proline' 0 C--N 1.36 1.16 0 C-N-CA 121.0 -2.5 . . . . 0.0 111.036 0.014 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 4.41 4.78 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.506 1.793 . . . . 0.0 110.997 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 25' ' ' ALA . 3.1 tt0 -70.77 -39.79 73.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.344 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -38.43 -29.68 0.07 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.437 1.086 . . . . 0.0 111.003 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 23' ' ' GLU . . . -45.44 -39.79 7.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 0.765 . . . . 0.0 109.267 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -73.99 -48.13 32.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 110.283 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.459 ' O ' ' N ' ' A' ' 30' ' ' VAL . 92.6 m -63.67 -14.26 50.38 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.449 1.093 . . . . 0.0 110.386 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.452 ' O ' ' N ' ' A' ' 31' ' ' ILE . 0.3 OUTLIER -42.8 -56.02 3.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 110.266 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.432 ' N ' ' HD2' ' A' ' 28' ' ' ARG . 63.6 mtp180 -45.44 -26.29 0.54 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.255 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.459 ' N ' ' O ' ' A' ' 27' ' ' THR . 63.1 t -95.05 -32.89 4.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.541 HG23 ' HB2' ' A' ' 73' ' ' TYR . 45.2 mt -72.61 -67.76 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.336 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.435 ' OE2' ' NE ' ' A' ' 28' ' ' ARG . 21.4 mt-10 -41.84 -31.34 0.31 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.128 . . . . 0.0 110.28 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.5 tptt -59.94 -48.62 80.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 109.291 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.995 HD21 HD21 ' A' ' 62' ' ' LEU . 48.9 tp -68.08 -45.72 73.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.14 -41.97 69.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 13.3 ttt-85 -71.07 -17.82 62.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 110.293 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 29.0 t80 -94.07 -33.86 13.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.1 . . . . 0.0 111.006 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.939 HG11 ' OH ' ' A' ' 73' ' ' TYR . 6.1 t -81.2 -75.95 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.462 1.102 . . . . 0.0 109.274 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.874 ' HB3' HD12 ' A' ' 80' ' ' ILE . . . -39.85 -29.96 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 38' ' ' VAL . 0.5 OUTLIER -62.74 -65.43 0.69 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 110.324 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -75.8 -52.8 6.19 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.473 1.108 . . . . 0.0 110.977 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 141.66 -147.44 18.99 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -33.15 4.76 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.468 1.772 . . . . 0.0 110.971 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.614 ' O ' HG23 ' A' ' 48' ' ' VAL . 1.8 tt0 -50.24 -32.15 15.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 110.263 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.514 ' CD2' ' N ' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -72.2 -61.26 1.86 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.334 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -40.31 -32.95 0.21 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 110.318 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -78.64 -57.28 3.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.614 HG23 ' O ' ' A' ' 44' ' ' GLU . 67.9 t -52.98 -42.88 45.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.46 1.1 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -47.69 -53.0 16.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.408 ' CE ' ' O ' ' A' ' 62' ' ' LEU . 7.8 mtt -55.47 -17.54 5.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 111.0 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -99.41 -57.27 2.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 110.322 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.487 ' HB3' ' CE1' ' A' ' 53' ' ' TYR . 11.4 t0 -49.5 -38.46 30.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.246 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.546 ' N ' ' CD1' ' A' ' 53' ' ' TYR . 0.6 OUTLIER -109.16 32.95 4.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 111.018 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 53' ' ' TYR . 8.0 tttt -38.78 -30.98 0.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.437 ' N ' ' C ' ' A' ' 53' ' ' TYR . 4.5 m-20 -112.99 80.31 1.34 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.712 ' O ' HG22 ' A' ' 60' ' ' THR . 0.2 OUTLIER -107.99 120.41 47.06 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.09 . . . . 0.0 109.279 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.607 ' O ' HG23 ' A' ' 60' ' ' THR . 18.2 Cg_endo -75.02 -59.93 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.479 1.778 . . . . 0.0 110.954 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -96.81 -15.98 21.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.709 ' HE1' HD22 ' A' ' 34' ' ' LEU . 0.3 OUTLIER -88.37 28.18 1.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 111.024 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.712 HG22 ' O ' ' A' ' 56' ' ' ASN . 73.6 p -74.68 -12.43 60.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.437 1.086 . . . . 0.0 110.389 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.587 ' CE1' ' CD1' ' A' ' 59' ' ' PHE . 44.0 p90 -65.92 -13.39 59.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 111.021 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.995 HD21 HD21 ' A' ' 34' ' ' LEU . 9.3 mt -61.5 -59.54 5.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 8.8 p80 -73.89 -48.03 33.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.574 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -74.68 88.91 2.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.27 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.56 ' HD3' ' CZ ' ' A' ' 70' ' ' PHE . 1.0 OUTLIER -56.66 -54.16 49.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 27.3 m120 -83.49 65.3 8.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.133 . . . . 0.0 109.268 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.4 ' O ' ' HB3' ' A' ' 68' ' ' ARG . 8.0 t -108.47 -82.33 0.56 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 110.004 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.502 ' HG2' ' N ' ' A' ' 69' ' ' GLU . 0.1 OUTLIER 175.43 -30.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 110.315 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.502 ' N ' ' HG2' ' A' ' 68' ' ' ARG . 0.8 OUTLIER -92.46 -28.85 16.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 110.336 179.952 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.56 ' CZ ' ' HD3' ' A' ' 65' ' ' LYS . 87.6 t80 -63.8 -40.47 96.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 111.013 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.799 ' N ' HD13 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -61.67 -49.67 75.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 109.294 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.518 ' CD2' HD12 ' A' ' 31' ' ' ILE . 42.9 t80 -61.49 -37.13 82.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 110.96 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.939 ' OH ' HG11 ' A' ' 38' ' ' VAL . 1.6 t80 -62.4 -64.02 1.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 111.039 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.552 ' N ' ' CD2' ' A' ' 73' ' ' TYR . 0.0 OUTLIER -51.74 -28.56 15.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.26 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -64.61 -78.64 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 110.28 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.575 ' HG2' ' CD2' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -54.58 -23.43 16.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.517 HG21 ' CE1' ' A' ' 73' ' ' TYR . 1.0 OUTLIER -52.35 -24.03 5.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.513 ' HB1' ' HA ' ' A' ' 11' ' ' TYR . . . -80.35 -27.85 38.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.723 ' HG3' HD11 ' A' ' 15' ' ' LEU . 8.0 tm-20 -71.04 -38.64 72.55 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 110.313 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.874 HD12 ' HB3' ' A' ' 39' ' ' ALA . 0.0 OUTLIER -81.34 -34.21 13.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.314 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.514 ' HG2' ' HB1' ' A' ' 39' ' ' ALA . 16.1 mmm-85 -49.78 -53.09 27.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.318 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.148 . . . . 0.0 109.294 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.543 ' HA ' ' CE2' ' A' ' 11' ' ' TYR . 4.1 pt-20 . . . . . 0 N--CA 1.452 -0.356 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -42.85 -28.34 0.24 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.626 ' CZ ' ' CB ' ' A' ' 82' ' ' LYS . 3.0 p90 -51.13 -20.57 1.54 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.157 . . . . 0.0 110.966 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.534 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 0.3 OUTLIER -100.34 -18.68 16.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 110.326 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.445 ' O ' HD11 ' A' ' 17' ' ' ILE . 0.7 OUTLIER -64.84 -11.05 33.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.143 . . . . 0.0 110.296 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.823 ' O ' HD12 ' A' ' 17' ' ' ILE . 34.0 m95 -85.79 -37.99 18.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 107.975 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.906 HD11 ' HD3' ' A' ' 76' ' ' LYS . 1.1 tp -57.72 -42.39 83.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -44.34 -39.84 4.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 110.273 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.823 HD12 ' O ' ' A' ' 14' ' ' TRP . 0.5 OUTLIER -113.82 94.85 3.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.272 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 27.9 mmtm -62.58 174.04 1.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.303 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.524 HG11 ' CA ' ' A' ' 72' ' ' TYR . 0.9 OUTLIER -91.05 148.46 4.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.485 ' HA ' ' C ' ' A' ' 21' ' ' PRO . 0.4 OUTLIER -99.41 158.51 32.08 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.977 -179.956 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.485 ' C ' ' HA ' ' A' ' 20' ' ' SER . 18.5 Cg_endo -74.95 174.47 52.48 Favored 'Cis proline' 0 C--N 1.36 1.148 0 C-N-CA 121.029 -2.488 . . . . 0.0 111.006 -0.013 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 4.08 5.03 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.453 1.765 . . . . 0.0 110.996 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.14 -18.42 60.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 110.256 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.417 ' O ' ' N ' ' A' ' 28' ' ' ARG . . . -73.72 -12.31 80.71 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.554 1.159 . . . . 0.0 110.989 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.88 -17.93 11.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 0.785 . . . . 0.0 109.297 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -84.16 -30.49 25.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.1 . . . . 0.0 110.299 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.709 ' O ' HG12 ' A' ' 30' ' ' VAL . 41.8 m -96.17 -20.86 18.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 110.408 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.564 ' HB2' ' CE2' ' A' ' 72' ' ' TYR . 0.0 OUTLIER -49.75 -23.48 1.83 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.309 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 84.2 mtt180 -75.43 -29.43 59.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.256 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.709 HG12 ' O ' ' A' ' 27' ' ' THR . 9.5 p -95.31 -13.71 8.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 109.277 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.535 HG21 ' HD2' ' A' ' 72' ' ' TYR . 99.1 mt -82.26 -47.55 18.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 109.267 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -50.9 -29.04 10.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.321 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.5 tptp -56.9 -52.23 65.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.328 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 1.005 ' CD1' HD11 ' A' ' 62' ' ' LEU . 0.2 OUTLIER -63.84 -53.5 49.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.925 ' HA ' HG12 ' A' ' 77' ' ' VAL . . . -45.63 -46.8 14.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.145 . . . . 0.0 109.302 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.49 ' O ' ' CG ' ' A' ' 40' ' ' GLU . 28.3 ttt85 -68.19 -28.78 67.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.28 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.457 ' N ' ' O ' ' A' ' 34' ' ' LEU . 13.8 t80 -77.7 -43.21 31.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 110.979 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.792 HG23 HD22 ' A' ' 34' ' ' LEU . 22.2 t -66.18 -75.57 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.824 ' HB3' HD12 ' A' ' 80' ' ' ILE . . . -38.95 -30.81 0.05 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.49 ' CG ' ' O ' ' A' ' 36' ' ' ARG . 2.0 mm-40 -58.2 -67.39 0.35 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.105 . . . . 0.0 110.306 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -85.39 -53.12 3.18 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.481 1.113 . . . . 0.0 111.06 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 38' ' ' VAL . . . 140.57 -139.41 9.69 Favored Glycine 0 CA--C 1.53 0.971 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -32.04 5.8 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.473 1.775 . . . . 0.0 111.01 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -53.03 -33.48 52.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.282 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.554 ' CD2' ' N ' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -71.57 -57.73 4.14 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.487 1.117 . . . . 0.0 109.331 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.39 -32.55 1.38 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 110.292 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.0 mttt -74.78 -55.56 5.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.274 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.406 ' O ' ' N ' ' A' ' 51' ' ' GLU . 55.9 t -56.59 -45.46 82.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.26 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -47.09 -54.01 11.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.163 . . . . 0.0 109.277 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.8 -19.74 2.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 110.991 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' A' ' 48' ' ' VAL . 4.0 tp10 -96.07 -44.58 7.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.294 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.445 ' CG ' ' CE1' ' A' ' 53' ' ' TYR . 47.1 t0 -56.56 -43.31 79.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 0.0 109.321 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.445 ' CE1' ' CG ' ' A' ' 52' ' ' ASP . 2.6 m-85 -113.03 34.74 4.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 111.024 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 6.1 tttt -49.81 -38.96 36.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 109.315 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -119.88 82.67 1.92 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.682 ' O ' HG22 ' A' ' 60' ' ' THR . 0.4 OUTLIER -134.04 122.77 16.5 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.494 ' C ' HG23 ' A' ' 60' ' ' THR . 18.4 Cg_endo -74.96 -14.89 21.11 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.487 1.783 . . . . 0.0 110.993 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -98.92 -49.9 4.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.51 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 1.7 m-85 -83.72 37.56 0.59 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 111.005 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.682 HG22 ' O ' ' A' ' 56' ' ' ASN . 80.7 p -70.6 -13.72 62.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 110.401 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.524 ' CE2' ' CD1' ' A' ' 62' ' ' LEU . 47.3 p90 -68.79 -15.1 63.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.154 . . . . 0.0 111.033 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 1.005 HD11 ' CD1' ' A' ' 34' ' ' LEU . 0.5 OUTLIER -62.93 -48.6 78.22 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.448 1.092 . . . . 0.0 109.289 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.458 ' NE2' ' HA ' ' A' ' 60' ' ' THR . 11.4 p80 -86.44 -25.07 25.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.591 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -71.01 95.91 1.24 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.336 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.595 ' HA ' ' CE2' ' A' ' 70' ' ' PHE . 0.0 OUTLIER -89.88 47.64 1.48 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.297 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 13.4 p30 175.83 40.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.34 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 52.9 p -111.22 177.3 4.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.033 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.453 ' O ' HG21 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -90.61 -18.43 25.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 110.298 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.423 ' CD ' ' HB3' ' A' ' 61' ' ' PHE . 1.4 pt-20 -96.02 -13.23 23.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 110.294 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.595 ' CE2' ' HA ' ' A' ' 65' ' ' LYS . 62.4 t80 -91.45 -24.59 19.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 111.005 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 43.9 mt -79.83 -53.72 6.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.248 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.564 ' CE2' ' HB2' ' A' ' 28' ' ' ARG . 41.2 t80 -53.69 -36.33 62.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 111.035 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 1.014 ' O ' HG13 ' A' ' 77' ' ' VAL . 0.1 OUTLIER -52.92 -44.41 66.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 110.998 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.466 ' O ' HG22 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -78.43 -11.97 59.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 110.289 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.503 ' O ' ' CD1' ' A' ' 15' ' ' LEU . 30.5 mmt-85 -87.19 -21.62 25.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.312 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.906 ' HD3' HD11 ' A' ' 15' ' ' LEU . 0.3 OUTLIER -91.12 -40.29 11.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.288 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 1.014 HG13 ' O ' ' A' ' 73' ' ' TYR . 5.2 m -50.85 -43.84 25.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -56.65 -44.25 81.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.514 ' HB2' HD22 ' A' ' 15' ' ' LEU . 20.4 tp10 -58.06 -60.82 3.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.46 1.1 . . . . 0.0 110.268 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.824 HD12 ' HB3' ' A' ' 39' ' ' ALA . 0.0 OUTLIER -62.58 -42.07 94.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.523 ' CG ' ' O ' ' A' ' 77' ' ' VAL . 5.5 mmm180 -38.42 -50.65 1.53 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.1 . . . . 0.0 110.3 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.626 ' CB ' ' CZ ' ' A' ' 11' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.312 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 t -113.33 67.37 0.67 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 0.733 . . . . 0.0 110.007 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.9 p -163.11 119.81 1.85 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 110.028 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -138.53 136.17 7.88 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.489 1.118 . . . . 0.0 110.977 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.2 t -129.31 108.48 10.34 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 0.745 . . . . 0.0 109.969 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 86.8 p -117.92 125.48 50.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.012 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 107.8 165.39 21.57 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.49 1.119 . . . . 0.0 110.97 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.413 ' N ' ' OD2' ' A' ' 10' ' ' ASP . 7.9 tt0 -152.3 -67.79 0.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 0.739 . . . . 0.0 110.27 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -52.8 -23.13 6.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 110.333 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.42 ' O ' ' N ' ' A' ' 13' ' ' GLN . 3.9 p30 -48.84 -24.21 1.36 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.142 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.572 ' CE2' ' HG3' ' A' ' 82' ' ' LYS . 0.9 OUTLIER -48.5 -31.29 6.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.098 . . . . 0.0 111.036 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.449 ' N ' ' CD1' ' A' ' 11' ' ' TYR . 6.2 pt-20 -88.66 -22.5 23.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.531 1.145 . . . . 0.0 110.296 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.42 ' N ' ' O ' ' A' ' 10' ' ' ASP . 0.2 OUTLIER -63.62 -11.71 27.38 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.49 1.119 . . . . 0.0 110.314 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 28.4 m95 -88.84 -43.67 11.05 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.577 HD11 ' HD3' ' A' ' 76' ' ' LYS . 0.7 OUTLIER -48.98 -24.65 1.58 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 109.305 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -63.99 -32.45 74.0 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.557 1.161 . . . . 0.0 110.248 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -110.39 94.82 3.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.466 1.104 . . . . 0.0 109.275 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.3 mmmm -81.34 171.55 14.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.269 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.654 HG11 ' N ' ' A' ' 72' ' ' TYR . 1.1 m -88.25 159.89 2.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.518 ' HA ' ' C ' ' A' ' 21' ' ' PRO . 55.2 p -110.51 150.55 41.83 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.132 . . . . 0.0 110.024 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.518 ' C ' ' HA ' ' A' ' 20' ' ' SER . 18.5 Cg_endo -74.93 174.41 52.75 Favored 'Cis proline' 0 C--N 1.36 1.141 0 C-N-CA 121.041 -2.483 . . . . 0.0 111.026 -0.043 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 4.26 4.9 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.477 1.777 . . . . 0.0 111.012 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -77.63 -14.53 59.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 110.278 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -56.36 -20.41 29.49 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.493 1.121 . . . . 0.0 110.995 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.01 -22.49 27.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 0.769 . . . . 0.0 109.359 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -69.37 -37.11 77.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 110.298 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.432 ' O ' ' N ' ' A' ' 30' ' ' VAL . 25.3 m -92.99 -15.04 26.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.397 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.419 ' HD2' ' N ' ' A' ' 29' ' ' ARG . 0.1 OUTLIER -45.14 -46.2 11.8 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.504 1.128 . . . . 0.0 110.294 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.419 ' N ' ' HD2' ' A' ' 28' ' ' ARG . 9.7 mtm-85 -53.83 -30.11 43.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 110.274 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.432 ' N ' ' O ' ' A' ' 27' ' ' THR . 42.3 t -91.3 -41.12 13.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.489 HG23 ' HB2' ' A' ' 73' ' ' TYR . 27.7 mt -58.27 -57.94 8.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 0.0 109.279 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -47.32 -30.15 2.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.308 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.4 tptt -62.58 -48.94 77.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.471 HD21 HD11 ' A' ' 62' ' ' LEU . 56.1 tp -58.79 -62.64 1.72 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.481 ' CB ' HG23 ' A' ' 77' ' ' VAL . . . -46.31 -55.88 6.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.275 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.435 ' O ' ' CB ' ' A' ' 40' ' ' GLU . 4.6 ttt180 -54.88 -23.61 19.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 110.268 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.524 ' O ' HD12 ' A' ' 45' ' ' LEU . 10.0 t80 -93.81 -21.22 19.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 111.01 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.441 ' N ' ' O ' ' A' ' 34' ' ' LEU . 27.0 t -92.79 -75.69 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.964 ' HB3' HD12 ' A' ' 80' ' ' ILE . . . -42.0 -27.85 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.241 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.438 ' N ' ' C ' ' A' ' 38' ' ' VAL . 3.8 tp10 -67.37 -62.31 1.48 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.099 . . . . 0.0 110.268 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -83.4 -59.54 2.12 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.558 1.161 . . . . 0.0 111.046 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 38' ' ' VAL . . . 148.95 -146.4 15.79 Favored Glycine 0 CA--C 1.53 0.975 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -30.77 6.92 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.478 1.778 . . . . 0.0 111.001 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -51.31 -36.29 41.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 110.296 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.541 ' CD2' ' N ' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -70.35 -53.54 16.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 0.0 109.328 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.32 -23.76 2.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 110.296 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -84.33 -38.76 19.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.273 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 47.1 t -73.43 -37.63 51.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.327 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -55.12 -42.36 72.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.298 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.691 ' HA ' HD23 ' A' ' 62' ' ' LEU . 20.5 mtt -58.93 -22.97 60.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.557 1.16 . . . . 0.0 111.054 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -93.78 -40.93 9.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 110.294 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -53.22 -46.6 69.16 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.803 ' CD2' ' CD2' ' A' ' 59' ' ' PHE . 0.6 OUTLIER -108.4 28.39 8.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 111.01 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -40.18 -46.27 2.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -116.99 73.98 0.89 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.413 ' OD1' ' HB3' ' A' ' 58' ' ' ALA . 1.2 t-20 -135.13 119.15 13.29 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.257 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.572 ' C ' HG23 ' A' ' 60' ' ' THR . 18.4 Cg_endo -75.03 0.09 9.35 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.513 1.796 . . . . 0.0 111.021 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.413 ' HB3' ' OD1' ' A' ' 56' ' ' ASN . . . -99.74 -45.46 5.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.287 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.803 ' CD2' ' CD2' ' A' ' 53' ' ' TYR . 0.9 OUTLIER -88.01 29.3 0.95 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 110.979 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.572 HG23 ' C ' ' A' ' 57' ' ' PRO . 61.1 p -63.53 -12.72 34.61 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.145 . . . . 0.0 110.315 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.541 ' CE1' ' HA ' ' A' ' 59' ' ' PHE . 39.5 p90 -74.14 -37.72 63.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 111.035 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.691 HD23 ' HA ' ' A' ' 50' ' ' MET . 2.4 tp -40.19 -71.45 0.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.473 ' CD2' ' H ' ' A' ' 63' ' ' HIS . 5.1 m-70 -47.88 -72.03 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.557 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 63' ' ' HIS . 11.4 m-20 -40.35 150.29 0.06 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.425 ' HE2' ' CE2' ' A' ' 70' ' ' PHE . 2.7 mtpt -130.41 37.26 3.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.261 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -160.01 35.79 0.18 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 0.0 109.276 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.8 t -114.98 132.22 56.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 110.036 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.662 ' HA ' HD12 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -44.63 -31.78 1.26 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 110.332 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.46 ' N ' ' HG2' ' A' ' 68' ' ' ARG . 0.5 OUTLIER -63.15 -44.54 95.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 110.317 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.425 ' CE2' ' HE2' ' A' ' 65' ' ' LYS . 64.2 t80 -66.36 -16.37 64.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.098 . . . . 0.0 111.021 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.662 HD12 ' HA ' ' A' ' 68' ' ' ARG . 28.1 mt -86.75 -53.74 4.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.654 ' N ' HG11 ' A' ' 19' ' ' VAL . 52.6 t80 -55.84 -33.61 64.66 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.513 1.133 . . . . 0.0 111.01 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.489 ' HB2' HG23 ' A' ' 31' ' ' ILE . 0.9 OUTLIER -64.58 -31.98 73.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 111.011 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.58 -34.92 25.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.284 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.496 ' O ' ' CD1' ' A' ' 15' ' ' LEU . 13.1 mmt180 -63.09 -27.79 69.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 110.327 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.577 ' HD3' HD11 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -89.7 -37.7 14.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.368 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.481 HG23 ' CB ' ' A' ' 35' ' ' ALA . 1.5 t -48.89 -40.75 12.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.343 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.61 -29.77 69.43 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.457 1.098 . . . . 0.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 76' ' ' LYS . 1.2 tm-20 -72.49 -61.6 1.74 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.562 1.164 . . . . 0.0 110.311 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.964 HD12 ' HB3' ' A' ' 39' ' ' ALA . 0.0 OUTLIER -60.21 -35.48 62.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.461 1.1 . . . . 0.0 109.29 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.535 ' HG2' ' HB1' ' A' ' 39' ' ' ALA . 9.1 mmm180 -49.39 -60.69 2.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 110.325 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.572 ' HG3' ' CE2' ' A' ' 11' ' ' TYR . 0.1 OUTLIER -41.23 -58.36 1.83 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.423 1.077 . . . . 0.0 109.279 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -125.0 105.09 8.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 110.028 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -119.95 -86.31 0.97 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.454 1.096 . . . . 0.0 110.981 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 178.08 7.7 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.499 1.789 . . . . 0.0 111.041 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -144.62 89.59 2.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.008 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.1 p -169.23 -71.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.987 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.502 1.126 . . . . 0.0 111.012 179.974 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.8 p -165.12 131.15 2.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 0.761 . . . . 0.0 109.969 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.4 p -167.13 79.83 0.2 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 110.047 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 63.31 157.36 0.14 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.5 1.125 . . . . 0.0 111.024 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 94.3 p -169.14 150.82 4.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 0.754 . . . . 0.0 109.994 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 98.9 p -97.34 122.95 40.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.014 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 61.56 150.4 0.02 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.483 1.114 . . . . 0.0 111.011 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.403 ' C ' ' N ' ' A' ' 10' ' ' ASP . 8.1 mm-40 -104.29 62.82 0.74 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 0.768 . . . . 0.0 110.308 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -45.96 -25.1 0.49 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 110.338 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.419 ' O ' ' N ' ' A' ' 13' ' ' GLN . 0.7 OUTLIER -43.01 -32.43 0.65 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.336 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.58 ' CD1' ' C ' ' A' ' 11' ' ' TYR . 1.3 p90 -49.73 -21.56 1.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 111.022 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -100.64 -20.81 15.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.282 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.422 ' O ' HD11 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -64.19 -11.41 30.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.258 -179.956 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.747 ' O ' HD12 ' A' ' 17' ' ' ILE . 36.3 m95 -88.51 -31.9 18.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 107.957 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.652 HD22 ' CD ' ' A' ' 79' ' ' GLU . 0.9 OUTLIER -60.62 -31.48 70.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -54.56 -30.45 54.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.098 . . . . 0.0 110.342 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.747 HD12 ' O ' ' A' ' 14' ' ' TRP . 0.1 OUTLIER -112.33 94.98 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.267 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.94 173.18 3.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 109.293 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.612 HG21 ' CA ' ' A' ' 72' ' ' TYR . 78.9 t -97.21 141.03 16.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.269 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.518 ' HA ' ' C ' ' A' ' 21' ' ' PRO . 78.3 p -97.29 150.1 36.44 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.012 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.518 ' C ' ' HA ' ' A' ' 20' ' ' SER . 18.4 Cg_endo -75.01 174.32 53.34 Favored 'Cis proline' 0 C--N 1.36 1.141 0 C-N-CA 120.99 -2.504 . . . . 0.0 111.022 -0.022 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 4.4 4.76 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.423 1.749 . . . . 0.0 110.962 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -74.72 -31.32 61.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.438 1.086 . . . . 0.0 110.303 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -63.35 -13.67 50.79 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.541 1.151 . . . . 0.0 110.98 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.423 ' O ' ' CG ' ' A' ' 28' ' ' ARG . . . -53.49 -55.55 24.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 0.781 . . . . 0.0 109.343 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -57.88 -28.06 63.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 110.274 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 9.4 m -80.49 -15.04 57.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 110.402 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.426 ' CD ' ' CD ' ' A' ' 32' ' ' GLU . 0.5 OUTLIER -48.94 -29.88 5.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.274 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.412 ' N ' ' HG3' ' A' ' 28' ' ' ARG . 0.1 OUTLIER -64.78 -26.59 68.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 0.0 110.282 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 47.6 t -95.13 -21.41 5.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 109.269 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.551 HG21 ' HD2' ' A' ' 72' ' ' TYR . 38.6 mt -85.52 -55.83 6.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.426 ' CD ' ' CD ' ' A' ' 28' ' ' ARG . 88.5 mt-10 -42.24 -39.32 2.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 110.283 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.8 tppt? -58.61 -48.14 81.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.271 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.794 HD11 ' CD1' ' A' ' 62' ' ' LEU . 0.6 OUTLIER -52.83 -46.21 67.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 0.0 109.328 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.512 ' HB2' HG23 ' A' ' 77' ' ' VAL . . . -70.49 -61.05 1.92 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.161 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.494 ' O ' ' CG ' ' A' ' 40' ' ' GLU . 1.6 ttt85 -46.03 -27.3 0.9 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.282 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 18.0 t80 -88.55 -46.71 8.87 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 111.016 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.554 HG11 ' OH ' ' A' ' 73' ' ' TYR . 5.1 t -69.02 -72.01 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.896 ' HB3' HD12 ' A' ' 80' ' ' ILE . . . -39.24 -31.82 0.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.494 ' CG ' ' O ' ' A' ' 36' ' ' ARG . 5.7 mm-40 -62.91 -66.09 0.59 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 110.303 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -77.97 -66.65 1.73 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.526 1.141 . . . . 0.0 110.984 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 155.77 -144.29 10.76 Favored Glycine 0 CA--C 1.531 1.041 0 N-CA-C 110.956 -0.857 . . . . 0.0 110.956 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -33.43 4.6 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.5 1.79 . . . . 0.0 111.033 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.662 ' O ' HG23 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -51.44 -29.07 14.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.337 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.566 ' CD2' ' N ' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -77.69 -38.74 46.77 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.49 -40.58 95.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 110.314 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.4 mttt -68.94 -40.68 78.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.662 HG23 ' O ' ' A' ' 44' ' ' GLU . 70.0 t -70.32 -35.87 64.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.122 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -55.25 -43.53 74.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 6.4 mtt -65.9 -12.57 55.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 110.97 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -93.9 -42.13 9.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.337 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 39.0 t0 -66.18 -38.81 88.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.277 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.793 ' CD2' ' CD2' ' A' ' 59' ' ' PHE . 4.7 m-85 -107.53 29.14 7.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.989 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -44.78 -57.4 3.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.095 . . . . 0.0 109.332 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -114.93 82.2 1.69 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.44 1.088 . . . . 0.0 109.281 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.441 ' OD1' ' HB3' ' A' ' 58' ' ' ALA . 1.2 t-20 -135.08 120.09 13.82 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.586 ' C ' HG23 ' A' ' 60' ' ' THR . 18.3 Cg_endo -75.0 -1.4 11.18 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.531 1.806 . . . . 0.0 110.994 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.441 ' HB3' ' OD1' ' A' ' 56' ' ' ASN . . . -99.6 -46.01 5.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.443 1.089 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.793 ' CD2' ' CD2' ' A' ' 53' ' ' TYR . 0.8 OUTLIER -87.93 28.47 1.03 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 111.013 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.586 HG23 ' C ' ' A' ' 57' ' ' PRO . 60.3 p -60.99 -13.68 17.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.16 . . . . 0.0 110.406 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.643 ' HZ ' HD12 ' A' ' 34' ' ' LEU . 40.0 p90 -73.81 -36.74 65.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 111.01 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.794 ' CD1' HD11 ' A' ' 34' ' ' LEU . 4.2 tp -46.7 -71.88 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 109.28 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.496 ' H ' ' CD2' ' A' ' 63' ' ' HIS . 4.0 m-70 -50.92 -60.46 3.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.565 1.165 . . . . 0.0 109.625 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.99 75.36 0.92 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.346 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.543 ' HG2' ' CE1' ' A' ' 70' ' ' PHE . 26.2 mtpt -44.7 -41.25 6.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 109.288 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -88.37 54.05 2.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 109.324 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 8.4 p -100.68 -81.46 0.47 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 110.046 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.486 ' HG2' ' N ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER 174.68 -30.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 110.272 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.486 ' N ' ' HG2' ' A' ' 68' ' ' ARG . 0.4 OUTLIER -88.96 -32.54 17.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.3 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.543 ' CE1' ' HG2' ' A' ' 65' ' ' LYS . 58.4 t80 -63.08 -29.93 71.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 110.945 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.651 HD22 ' N ' ' A' ' 71' ' ' LEU . 1.3 mm? -72.88 -51.62 17.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.612 ' CA ' HG21 ' A' ' 19' ' ' VAL . 91.7 t80 -57.81 -35.4 70.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.097 . . . . 0.0 111.026 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.554 ' OH ' HG11 ' A' ' 38' ' ' VAL . 2.3 t80 -61.08 -45.45 94.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 111.036 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.33 -29.91 70.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.1 . . . . 0.0 110.255 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 44.3 mmt-85 -67.49 -46.48 72.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 110.301 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.465 ' O ' HG22 ' A' ' 80' ' ' ILE . 0.0 OUTLIER -73.27 -37.75 66.19 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.56 1.163 . . . . 0.0 109.285 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.512 HG23 ' HB2' ' A' ' 35' ' ' ALA . 2.0 t -49.38 -40.56 14.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.133 . . . . 0.0 109.285 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -68.97 -28.36 66.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.652 ' CD ' HD22 ' A' ' 15' ' ' LEU . 18.5 tp10 -75.97 -54.37 6.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.34 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.896 HD12 ' HB3' ' A' ' 39' ' ' ALA . 0.0 OUTLIER -65.95 -40.03 86.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.323 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.494 ' CG ' ' O ' ' A' ' 77' ' ' VAL . 2.7 mmm180 -44.67 -68.51 0.19 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 110.315 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.571 ' HG3' ' CD2' ' A' ' 11' ' ' TYR . 0.4 OUTLIER -48.1 139.69 7.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 27.5 t -163.03 -43.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.995 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -164.31 -86.57 0.06 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.451 1.094 . . . . 0.0 110.976 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 174.74 12.27 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.476 1.777 . . . . 0.0 111.002 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -170.51 153.34 4.21 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 109.977 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 46.5 94.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.017 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 O-C-N 124.516 1.135 . . . . 0.0 110.986 179.996 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.4 p -132.69 165.67 23.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 0.735 . . . . 0.0 109.994 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -97.37 171.53 8.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 110.008 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.61 -155.21 5.17 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.463 1.102 . . . . 0.0 111.016 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 179.07 170.74 0.9 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.433 0.725 . . . . 0.0 110.041 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.7 t -70.13 144.98 51.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.992 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 67.15 149.03 0.12 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.522 1.139 . . . . 0.0 111.025 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 10' ' ' ASP . 1.5 mt-10 -147.22 65.32 1.15 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 0.78 . . . . 0.0 110.277 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.5 ' O ' ' CG ' ' A' ' 12' ' ' GLU . 13.8 mt-10 -39.1 -29.41 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.115 . . . . 0.0 110.304 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.491 ' O ' ' N ' ' A' ' 13' ' ' GLN . 36.7 m-20 -40.99 -55.35 2.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.319 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.577 ' CE1' ' HB3' ' A' ' 12' ' ' GLU . 0.2 OUTLIER -38.08 -29.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 111.029 179.948 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.577 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 2.9 pt-20 -109.28 -23.66 11.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 110.3 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.491 ' N ' ' O ' ' A' ' 10' ' ' ASP . 0.0 OUTLIER -74.26 -15.07 60.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 110.271 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.618 ' O ' HD12 ' A' ' 17' ' ' ILE . 24.5 m95 -85.01 -24.34 28.26 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.452 ' HA ' HD12 ' A' ' 15' ' ' LEU . 1.3 tp -66.33 -29.08 69.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -55.49 -33.08 63.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 110.286 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.618 HD12 ' O ' ' A' ' 14' ' ' TRP . 0.1 OUTLIER -104.72 94.81 3.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.99 170.55 9.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.461 HG11 ' HB2' ' A' ' 71' ' ' LEU . 25.5 t -102.16 119.0 49.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.563 1.165 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.506 ' HA ' ' C ' ' A' ' 21' ' ' PRO . 3.6 p -71.5 150.54 93.8 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 110.01 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.506 ' C ' ' HA ' ' A' ' 20' ' ' SER . 18.3 Cg_endo -75.03 174.41 52.83 Favored 'Cis proline' 0 C--N 1.36 1.15 0 C-N-CA 121.015 -2.494 . . . . 0.0 110.989 0.024 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 4.32 4.85 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.513 1.796 . . . . 0.0 110.977 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -74.11 -19.14 60.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.342 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -57.48 -17.84 27.61 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.466 1.104 . . . . 0.0 111.021 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -47.21 -30.15 2.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 0.749 . . . . 0.0 109.338 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -85.71 -63.09 1.38 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.295 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.814 ' O ' HG12 ' A' ' 30' ' ' VAL . 17.8 m -49.34 -23.35 1.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.395 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.3 tmm_? -47.13 -26.41 1.11 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 0.0 110.317 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 93.7 mtt180 -71.67 -37.16 70.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.448 1.092 . . . . 0.0 110.298 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.814 HG12 ' O ' ' A' ' 27' ' ' THR . 11.9 p -82.76 -13.96 12.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.451 ' CG2' ' HA ' ' A' ' 73' ' ' TYR . 19.7 mt -93.53 -52.74 9.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.127 . . . . 0.0 109.234 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -48.81 -35.35 14.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 110.322 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.0 mmtp -65.22 -45.51 84.43 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.488 1.117 . . . . 0.0 109.298 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.966 HD11 HD21 ' A' ' 62' ' ' LEU . 0.2 OUTLIER -64.27 -47.18 80.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.416 ' HB1' HG22 ' A' ' 77' ' ' VAL . . . -65.41 -47.61 75.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.434 ' O ' ' CB ' ' A' ' 40' ' ' GLU . 0.8 OUTLIER -55.29 -42.69 73.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.282 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.418 ' CZ ' ' CD1' ' A' ' 45' ' ' LEU . 34.9 t80 -73.26 -33.01 65.03 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.536 1.147 . . . . 0.0 110.994 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.6 HG12 ' N ' ' A' ' 39' ' ' ALA . 2.5 t -73.25 -76.02 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.276 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.774 ' HB3' HD12 ' A' ' 80' ' ' ILE . . . -42.03 -28.53 0.18 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.44 ' N ' ' C ' ' A' ' 38' ' ' VAL . 2.9 tp10 -59.89 -57.86 11.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.11 . . . . 0.0 110.267 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.403 ' N ' ' HG3' ' A' ' 40' ' ' GLU . . . -91.24 -50.08 2.89 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.542 1.151 . . . . 0.0 111.01 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 38' ' ' VAL . . . 140.85 -148.05 19.69 Favored Glycine 0 CA--C 1.531 1.058 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -25.75 11.51 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.544 1.813 . . . . 0.0 110.952 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.797 ' O ' HG23 ' A' ' 48' ' ' VAL . 1.5 tm-20 -56.31 -32.68 64.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.297 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.564 ' CD2' ' N ' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -74.82 -48.66 24.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.092 . . . . 0.0 109.302 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.495 ' O ' ' HB3' ' A' ' 49' ' ' ALA . 54.7 tt0 -49.66 -52.9 27.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.28 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.7 mtmt -59.8 -56.21 24.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 109.327 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.797 HG23 ' O ' ' A' ' 44' ' ' GLU . 76.3 t -50.73 -44.7 26.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.112 . . . . 0.0 109.32 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.495 ' HB3' ' O ' ' A' ' 46' ' ' GLU . . . -44.54 -57.91 3.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.328 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 5.0 mtt -46.26 -23.85 0.4 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 111.033 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -97.82 -54.49 3.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.093 . . . . 0.0 110.346 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.532 ' HB3' ' CD1' ' A' ' 53' ' ' TYR . 1.1 m-20 -48.88 -40.06 28.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.113 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.565 ' N ' ' CD1' ' A' ' 53' ' ' TYR . 1.3 m-30 -103.21 28.17 6.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 111.038 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.457 ' C ' ' O ' ' A' ' 53' ' ' TYR . 0.5 OUTLIER -36.33 -40.4 0.23 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.262 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -106.47 77.12 1.18 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 109.314 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.62 ' O ' HG22 ' A' ' 60' ' ' THR . 0.2 OUTLIER -104.09 119.65 53.55 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.098 . . . . 0.0 109.284 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.469 ' O ' HG23 ' A' ' 60' ' ' THR . 18.3 Cg_endo -75.04 -58.74 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.486 1.782 . . . . 0.0 111.015 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -99.54 -14.77 18.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 0.0 109.26 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.57 ' CD1' ' CE1' ' A' ' 61' ' ' PHE . 0.2 OUTLIER -87.91 29.72 0.9 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 111.004 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.62 HG22 ' O ' ' A' ' 56' ' ' ASN . 74.4 p -77.48 -16.92 58.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.575 1.172 . . . . 0.0 110.406 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.604 ' CZ ' HD12 ' A' ' 34' ' ' LEU . 46.7 p90 -57.34 -22.66 43.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.145 . . . . 0.0 110.965 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.966 HD21 HD11 ' A' ' 34' ' ' LEU . 8.0 mt -55.24 -65.35 0.6 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 10.3 m-70 -53.03 -70.62 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.565 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.403 ' O ' ' O ' ' A' ' 61' ' ' PHE . 1.0 OUTLIER -59.28 110.45 1.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.285 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.568 ' HG3' ' CZ ' ' A' ' 70' ' ' PHE . 0.0 OUTLIER -67.8 -66.76 0.52 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 109.295 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -70.15 67.37 0.3 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.12 . . . . 0.0 109.335 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.408 ' N ' ' O ' ' A' ' 65' ' ' LYS . 30.4 t -110.11 -86.01 0.54 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.989 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.478 ' HG2' ' N ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER 174.21 -30.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.332 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.523 ' HB3' ' CG ' ' A' ' 61' ' ' PHE . 0.5 OUTLIER -91.79 -12.26 34.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 110.285 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.568 ' CZ ' ' HG3' ' A' ' 65' ' ' LYS . 47.9 t80 -91.57 -22.2 20.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 111.013 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.634 HD12 ' N ' ' A' ' 71' ' ' LEU . 2.9 mp -74.16 -53.38 9.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 109.258 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.445 ' N ' HG21 ' A' ' 19' ' ' VAL . 64.2 t80 -63.72 -36.53 84.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 111.012 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.543 ' OH ' HG11 ' A' ' 38' ' ' VAL . 7.8 t80 -50.92 -62.35 1.67 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 110.942 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.56 -40.59 62.74 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.119 . . . . 0.0 110.265 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 48.6 mmt-85 -58.34 -61.91 2.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.305 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.445 ' O ' ' N ' ' A' ' 79' ' ' GLU . 3.1 mmtt -59.44 -37.33 77.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.528 HG23 ' O ' ' A' ' 73' ' ' TYR . 2.7 t -48.7 -38.99 10.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.277 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.466 ' HB1' ' HA ' ' A' ' 11' ' ' TYR . . . -68.13 -31.95 71.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 76' ' ' LYS . 14.2 tp10 -70.8 -58.51 3.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.345 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.774 HD12 ' HB3' ' A' ' 39' ' ' ALA . 0.0 OUTLIER -59.72 -40.18 81.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 109.328 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 7.1 mmm-85 -43.0 -61.46 1.29 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.288 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.08 129.13 38.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.14 86.47 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.962 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 37.84 70.76 0.25 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.555 1.159 . . . . 0.0 111.015 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 163.27 35.73 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.49 1.784 . . . . 0.0 110.984 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.09 85.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 110.0 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 90.3 p 39.98 90.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 110.001 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.432 1.083 . . . . 0.0 111.024 -179.995 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.3 m -128.31 135.32 49.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 0.771 . . . . 0.0 110.025 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 m 179.54 90.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 110.025 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 123.25 60.01 0.2 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.583 1.177 . . . . 0.0 111.015 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 44.96 92.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 0.768 . . . . 0.0 110.02 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 m -112.57 116.09 29.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.11 . . . . 0.0 110.004 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 149.97 -26.77 1.15 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.517 1.136 . . . . 0.0 110.984 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -120.81 -58.82 1.79 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 0.766 . . . . 0.0 110.293 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.441 ' HA ' ' CD2' ' A' ' 11' ' ' TYR . 0.3 OUTLIER -47.4 -24.33 0.78 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 110.304 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.463 ' O ' ' N ' ' A' ' 13' ' ' GLN . 5.2 m-20 -40.58 -34.05 0.33 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 109.317 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.575 ' HA ' ' HB1' ' A' ' 78' ' ' ALA . 1.9 p90 -42.67 -24.31 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.972 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.57 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 2.6 pt-20 -106.08 -27.13 11.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.1 . . . . 0.0 110.312 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.463 ' N ' ' O ' ' A' ' 10' ' ' ASP . 3.7 pt20 -64.58 -16.91 63.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 110.314 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.486 ' O ' HD12 ' A' ' 17' ' ' ILE . 26.1 m95 -85.52 -32.7 22.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 108.023 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.45 HD12 ' HA ' ' A' ' 15' ' ' LEU . 0.8 OUTLIER -55.44 -19.31 8.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.153 . . . . 0.0 109.307 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -68.32 -36.94 80.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.115 . . . . 0.0 110.307 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.637 ' H ' HD12 ' A' ' 17' ' ' ILE . 0.1 OUTLIER -109.65 95.05 3.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.28 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.0 mmtm -68.15 -179.68 1.32 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.546 HG11 ' HB2' ' A' ' 71' ' ' LEU . 56.0 t -109.0 140.32 28.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.332 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.498 ' CB ' ' HA ' ' A' ' 21' ' ' PRO . 0.6 OUTLIER -97.49 160.36 28.95 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.426 1.079 . . . . 0.0 109.991 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.498 ' HA ' ' CB ' ' A' ' 20' ' ' SER . 18.2 Cg_endo -75.04 174.49 52.42 Favored 'Cis proline' 0 C--N 1.36 1.163 0 C-N-CA 121.0 -2.5 . . . . 0.0 111.006 0.022 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 4.18 4.95 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.514 1.797 . . . . 0.0 110.972 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -73.53 -37.85 65.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.277 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.418 ' O ' ' N ' ' A' ' 27' ' ' THR . . . -55.98 -16.8 14.08 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.485 1.116 . . . . 0.0 110.991 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -44.22 -51.4 8.26 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 0.757 . . . . 0.0 109.33 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -69.25 -28.6 66.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 110.309 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.418 ' N ' ' O ' ' A' ' 24' ' ' GLY . 88.3 m -75.39 -14.91 60.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.389 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.44 ' O ' ' N ' ' A' ' 32' ' ' GLU . 0.0 OUTLIER -48.02 -33.73 8.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 110.304 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.45 -28.91 69.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.556 1.16 . . . . 0.0 110.318 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 95.9 t -94.46 -28.17 4.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.44 1.087 . . . . 0.0 109.285 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.679 HG23 ' HB2' ' A' ' 73' ' ' TYR . 30.6 mt -79.02 -65.74 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -40.79 -37.59 0.79 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.323 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.8 mmmt -56.38 -49.66 73.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 109.273 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.465 HD21 HD11 ' A' ' 62' ' ' LEU . 33.4 tp -60.03 -19.79 54.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' A' ' 32' ' ' GLU . . . -89.34 -57.02 3.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.273 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.471 ' O ' ' CG ' ' A' ' 40' ' ' GLU . 18.9 ttt-85 -56.92 -18.88 15.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 110.267 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 53.0 t80 -92.96 -42.64 9.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 111.011 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.435 HG12 ' N ' ' A' ' 39' ' ' ALA . 6.8 t -73.84 -73.61 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.285 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.848 ' HB3' HD12 ' A' ' 80' ' ' ILE . . . -39.2 -32.74 0.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.471 ' CG ' ' O ' ' A' ' 36' ' ' ARG . 3.8 mm-40 -57.52 -66.33 0.48 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.44 1.087 . . . . 0.0 110.269 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -75.91 -61.11 2.96 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.452 1.095 . . . . 0.0 111.03 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 152.56 -145.05 12.24 Favored Glycine 0 CA--C 1.53 0.986 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.476 ' O ' ' N ' ' A' ' 46' ' ' GLU . 18.1 Cg_endo -75.04 -36.09 2.73 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.505 1.792 . . . . 0.0 110.972 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -50.2 -31.55 14.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 110.303 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.571 ' CD2' ' N ' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -72.57 -27.03 61.94 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 0.0 109.293 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.476 ' N ' ' O ' ' A' ' 43' ' ' PRO . 61.7 tt0 -80.01 -25.52 40.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 0.0 110.272 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.534 ' N ' ' CD ' ' A' ' 47' ' ' LYS . 0.1 OUTLIER -82.71 -29.65 29.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 109.277 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 41.0 t -83.01 -36.28 12.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.095 . . . . 0.0 109.335 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.82 -43.01 90.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.434 1.084 . . . . 0.0 109.275 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.33 -20.53 55.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 110.961 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -97.78 -50.37 4.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.275 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -48.5 -46.32 38.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.497 ' CD2' ' CD2' ' A' ' 59' ' ' PHE . 2.5 m-85 -104.17 28.64 6.62 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.143 . . . . 0.0 111.051 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -46.43 -44.99 17.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -120.62 82.01 1.85 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.318 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -135.07 119.59 13.57 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.523 1.14 . . . . 0.0 109.268 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.552 ' C ' HG23 ' A' ' 60' ' ' THR . 18.4 Cg_endo -74.98 -4.06 14.85 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.503 1.791 . . . . 0.0 111.033 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -100.04 -49.44 4.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 0.0 109.283 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.561 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 2.1 m-85 -86.88 32.29 0.67 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.101 . . . . 0.0 111.006 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.552 HG23 ' C ' ' A' ' 57' ' ' PRO . 59.6 p -64.14 -11.93 35.06 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.129 . . . . 0.0 110.369 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.561 ' CE1' ' HA ' ' A' ' 59' ' ' PHE . 45.2 p90 -73.3 -27.8 61.74 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 110.97 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.465 HD11 HD21 ' A' ' 34' ' ' LEU . 0.6 OUTLIER -39.65 -70.6 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -74.49 58.6 0.77 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.133 . . . . 0.0 109.58 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -165.13 107.22 0.81 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.344 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.581 ' HA ' ' CD2' ' A' ' 70' ' ' PHE . 3.7 mtpt -101.01 36.99 1.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 109.26 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 28.2 m-80 -173.15 47.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 13.5 t -111.49 -83.85 0.57 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.987 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.463 ' HG2' ' N ' ' A' ' 69' ' ' GLU . 0.1 OUTLIER 174.46 -30.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 110.356 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.526 ' HB3' ' CG ' ' A' ' 61' ' ' PHE . 1.0 OUTLIER -87.61 -15.55 37.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 110.323 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.581 ' CD2' ' HA ' ' A' ' 65' ' ' LYS . 78.1 t80 -93.17 -31.6 14.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 110.98 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.614 HD12 ' N ' ' A' ' 71' ' ' LEU . 2.8 mp -71.82 -51.82 20.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.413 ' N ' HG21 ' A' ' 19' ' ' VAL . 53.1 t80 -60.18 -33.78 72.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 111.01 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.679 ' HB2' HG23 ' A' ' 31' ' ' ILE . 0.4 OUTLIER -64.24 -55.3 22.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 111.002 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -59.39 -25.41 64.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 110.354 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -66.48 -78.87 0.05 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.559 1.162 . . . . 0.0 110.317 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.48 ' O ' HG22 ' A' ' 80' ' ' ILE . 0.0 OUTLIER -44.32 -34.09 1.83 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.091 . . . . 0.0 109.305 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.587 HG23 ' O ' ' A' ' 73' ' ' TYR . 2.2 t -46.39 -42.87 5.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.575 ' HB1' ' HA ' ' A' ' 11' ' ' TYR . . . -62.58 -35.85 80.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.46 1.1 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 76' ' ' LYS . 5.8 tp10 -68.84 -58.79 3.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 110.314 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.848 HD12 ' HB3' ' A' ' 39' ' ' ALA . 0.0 OUTLIER -60.61 -39.87 82.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.27 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.405 ' HG2' ' CB ' ' A' ' 39' ' ' ALA . 4.4 mmm180 -46.08 -60.76 2.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 110.269 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.552 ' CD ' ' CD2' ' A' ' 11' ' ' TYR . 1.0 OUTLIER -51.43 158.7 0.82 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.483 ' CB ' ' O ' ' A' ' 82' ' ' LYS . 2.2 t 83.75 51.12 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.567 1.167 . . . . 0.0 110.034 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 41.09 90.74 0.01 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.469 1.105 . . . . 0.0 111.003 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 69.89 5.37 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.485 1.782 . . . . 0.0 111.043 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 60.77 89.14 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 110.001 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 20.9 m 55.45 97.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.15 . . . . 0.0 109.993 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 O-C-N 124.479 1.112 . . . . 0.0 111.021 179.985 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 111.034 -0.827 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.0 m 64.43 161.92 0.12 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.471 0.747 . . . . 0.0 110.004 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -169.51 168.75 9.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.962 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -161.14 130.47 2.36 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.505 1.128 . . . . 0.0 111.039 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.4 m -108.76 73.63 0.87 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 0.74 . . . . 0.0 110.004 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.8 t -111.6 95.53 5.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 0.0 110.007 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -46.14 102.45 0.04 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.509 1.13 . . . . 0.0 111.009 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -124.83 165.42 18.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 0.778 . . . . 0.0 110.346 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -47.37 -24.17 0.73 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.139 . . . . 0.0 110.289 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.474 ' CA ' ' HG2' ' A' ' 13' ' ' GLN . 15.7 m-20 -50.98 -30.67 15.66 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.532 1.145 . . . . 0.0 109.284 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.516 ' CE1' ' HB2' ' A' ' 12' ' ' GLU . 2.6 p90 -40.76 -25.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.57 1.169 . . . . 0.0 110.999 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.516 ' HB2' ' CE1' ' A' ' 11' ' ' TYR . 19.5 tt0 -106.94 -27.22 10.82 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.116 . . . . 0.0 110.32 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.474 ' HG2' ' CA ' ' A' ' 10' ' ' ASP . 4.2 pt20 -63.5 -11.81 26.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 110.284 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 21.7 m95 -88.63 -18.51 27.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 107.985 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.584 HD11 ' CD ' ' A' ' 76' ' ' LYS . 1.1 tp -72.98 -30.29 63.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -53.6 -37.06 62.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.269 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.568 ' H ' HD12 ' A' ' 17' ' ' ILE . 0.1 OUTLIER -100.34 94.8 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.281 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.6 157.44 32.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.436 ' CG2' ' HG3' ' A' ' 75' ' ' ARG . 54.4 t -87.17 116.36 29.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.329 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.516 ' HA ' ' C ' ' A' ' 21' ' ' PRO . 5.1 p -72.51 150.73 91.5 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.101 . . . . 0.0 109.992 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.516 ' C ' ' HA ' ' A' ' 20' ' ' SER . 18.3 Cg_endo -75.0 174.37 53.04 Favored 'Cis proline' 0 C--N 1.36 1.135 0 C-N-CA 121.01 -2.496 . . . . 0.0 110.983 0.028 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 4.39 4.79 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.526 1.803 . . . . 0.0 110.962 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -69.21 -31.57 70.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 110.291 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -58.12 -15.4 21.83 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.493 1.121 . . . . 0.0 111.017 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -41.96 -35.87 0.97 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 0.756 . . . . 0.0 109.307 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.401 ' C ' ' N ' ' A' ' 28' ' ' ARG . 1.2 tp10 -78.96 -62.39 1.71 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 110.295 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.658 ' O ' HG12 ' A' ' 30' ' ' VAL . 7.0 m -44.75 -25.62 0.31 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 110.429 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.444 ' C ' ' CD ' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -47.23 -26.44 1.19 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 110.291 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.4 mtt180 -75.12 -35.19 61.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.437 1.086 . . . . 0.0 110.299 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.706 HG22 ' HE1' ' A' ' 59' ' ' PHE . 5.3 p -86.85 -21.53 7.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.437 HD12 ' HD2' ' A' ' 72' ' ' TYR . 25.7 mt -77.77 -55.68 9.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.486 ' O ' ' CB ' ' A' ' 36' ' ' ARG . 72.2 mt-10 -43.77 -26.1 0.23 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 110.288 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.7 mmtp -66.77 -48.67 68.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.739 HD11 HD11 ' A' ' 62' ' ' LEU . 1.5 tt -55.29 -51.63 66.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 38' ' ' VAL . . . -67.51 -58.85 3.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 109.299 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.486 ' CB ' ' O ' ' A' ' 32' ' ' GLU . 33.6 ttm180 -46.74 -26.29 0.91 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.335 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.556 ' O ' HD12 ' A' ' 45' ' ' LEU . 38.1 t80 -93.82 -26.31 16.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.978 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.515 HG12 ' N ' ' A' ' 39' ' ' ALA . 3.4 t -87.86 -74.9 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.107 . . . . 0.0 109.267 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.81 ' HB3' HD12 ' A' ' 80' ' ' ILE . . . -41.21 -28.49 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.439 ' N ' ' C ' ' A' ' 38' ' ' VAL . 1.1 tt0 -66.94 -57.01 7.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 110.281 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -84.97 -59.18 2.0 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.477 1.111 . . . . 0.0 110.994 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 38' ' ' VAL . . . 147.76 -146.95 17.21 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 111.049 -0.821 . . . . 0.0 111.049 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -33.77 4.31 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.487 1.783 . . . . 0.0 110.961 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.411 ' O ' HG23 ' A' ' 48' ' ' VAL . 0.3 OUTLIER -50.15 -32.14 15.34 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.473 1.108 . . . . 0.0 110.34 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.556 HD12 ' O ' ' A' ' 37' ' ' PHE . 0.1 OUTLIER -73.17 -58.89 2.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.298 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -44.21 -26.35 0.31 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 110.353 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.13 -45.14 15.56 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.427 ' N ' ' O ' ' A' ' 45' ' ' LEU . 52.2 t -67.87 -38.34 79.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.06 -49.57 75.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.09 . . . . 0.0 109.301 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.49 ' HA ' HD23 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -51.23 -23.58 3.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 111.028 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -99.15 -51.73 3.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.318 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.551 ' HB3' ' CD1' ' A' ' 53' ' ' TYR . 4.2 t0 -43.54 -47.73 7.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.296 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.551 ' CD1' ' HB3' ' A' ' 52' ' ' ASP . 0.9 OUTLIER -100.4 27.78 5.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.972 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -49.08 -37.01 19.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.321 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -116.34 81.19 1.57 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.265 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.643 ' O ' HG22 ' A' ' 60' ' ' THR . 0.8 OUTLIER -135.05 119.36 13.48 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.118 . . . . 0.0 109.351 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.544 ' C ' HG23 ' A' ' 60' ' ' THR . 18.2 Cg_endo -75.01 -17.67 19.34 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.505 1.792 . . . . 0.0 110.968 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -96.95 -45.79 6.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.307 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.706 ' HE1' HG22 ' A' ' 30' ' ' VAL . 0.7 OUTLIER -85.54 36.63 0.66 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.992 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.643 HG22 ' O ' ' A' ' 56' ' ' ASN . 67.4 p -71.55 -11.86 61.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 110.38 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.527 ' CG ' ' HB3' ' A' ' 69' ' ' GLU . 45.5 p90 -71.43 -23.12 61.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 110.979 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.739 HD11 HD11 ' A' ' 34' ' ' LEU . 0.7 OUTLIER -43.93 -71.27 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 109.303 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 -47.1 -60.87 2.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.612 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -54.28 157.34 2.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 109.325 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.591 ' HA ' ' CD2' ' A' ' 70' ' ' PHE . 32.0 mttt -141.06 55.92 1.56 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -174.23 37.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 5.9 t -116.16 158.96 22.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 109.979 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.94 -15.66 63.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.3 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.527 ' HB3' ' CG ' ' A' ' 61' ' ' PHE . 4.4 tt0 -87.8 -45.6 10.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.286 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.591 ' CD2' ' HA ' ' A' ' 65' ' ' LYS . 73.0 t80 -71.61 -21.63 61.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 111.026 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 46.1 mt -83.12 -62.81 1.49 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.28 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.437 ' HD2' HD12 ' A' ' 31' ' ' ILE . 55.1 t80 -49.57 -28.11 5.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 110.98 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.681 ' O ' HG23 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -58.89 -54.46 46.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 111.046 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 5.0 mtm180 -68.26 -32.33 72.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.431 1.082 . . . . 0.0 110.266 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.436 ' HG3' ' CG2' ' A' ' 19' ' ' VAL . 23.7 mmt85 -61.27 -44.27 97.51 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.133 . . . . 0.0 110.296 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.584 ' CD ' HD11 ' A' ' 15' ' ' LEU . 5.2 mmmt -77.3 -32.15 55.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.681 HG23 ' O ' ' A' ' 73' ' ' TYR . 2.7 t -47.67 -39.66 7.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.409 ' HB1' ' HA ' ' A' ' 11' ' ' TYR . . . -66.12 -34.05 77.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.514 ' HB2' HD22 ' A' ' 15' ' ' LEU . 23.4 tp10 -69.41 -56.8 6.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 110.315 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.81 HD12 ' HB3' ' A' ' 39' ' ' ALA . 0.0 OUTLIER -64.56 -39.85 87.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 109.287 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.462 ' CG ' ' O ' ' A' ' 77' ' ' VAL . 2.8 mmm180 -43.55 -58.59 2.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 110.306 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.46 ' HG3' ' CE2' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -40.14 -76.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.285 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -127.33 -74.57 0.59 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 110.03 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 69.03 74.81 0.58 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.474 1.109 . . . . 0.0 110.993 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -87.57 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.543 1.812 . . . . 0.0 111.013 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 175.87 99.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 109.996 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 7.9 t 69.73 121.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.016 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 O-C-N 124.534 1.146 . . . . 0.0 110.987 179.987 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.7 p -175.13 155.09 1.89 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 0.74 . . . . 0.0 109.997 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.7 p -156.58 130.66 8.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.018 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.26 171.55 38.16 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.528 1.142 . . . . 0.0 110.956 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 179.6 166.9 1.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 0.781 . . . . 0.0 109.999 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.5 p -118.98 121.56 40.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.985 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 152.64 -68.59 0.31 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.478 1.111 . . . . 0.0 111.008 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -54.45 154.96 4.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 0.745 . . . . 0.0 110.324 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.549 ' HA ' ' CD2' ' A' ' 11' ' ' TYR . 2.8 mt-10 -50.9 -21.04 1.52 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 110.256 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.466 ' O ' ' N ' ' A' ' 13' ' ' GLN . 16.6 m-20 -52.98 -20.4 3.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.586 ' CE1' ' HB3' ' A' ' 12' ' ' GLU . 4.2 p90 -48.01 -27.34 2.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 111.04 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.586 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 0.1 OUTLIER -89.36 -24.37 21.99 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.443 1.089 . . . . 0.0 110.259 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.466 ' N ' ' O ' ' A' ' 10' ' ' ASP . 1.2 pp0? -58.36 -16.31 14.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.353 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.563 ' O ' HD12 ' A' ' 17' ' ' ILE . 25.0 m95 -74.79 -20.74 59.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 108.001 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.45 HD21 ' HA ' ' A' ' 76' ' ' LYS . 11.1 mt -70.15 -39.07 75.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -47.22 -36.82 9.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 110.312 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.588 ' H ' HD12 ' A' ' 17' ' ' ILE . 0.4 OUTLIER -113.47 94.9 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.277 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.03 -177.14 0.6 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.528 HG11 ' CA ' ' A' ' 72' ' ' TYR . 2.7 m -97.42 164.08 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.133 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.49 ' HA ' ' C ' ' A' ' 21' ' ' PRO . 3.6 m -123.96 156.73 65.33 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.979 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.49 ' C ' ' HA ' ' A' ' 20' ' ' SER . 18.5 Cg_endo -74.9 174.43 52.62 Favored 'Cis proline' 0 C--N 1.359 1.127 0 C-N-CA 121.013 -2.494 . . . . 0.0 111.052 -0.116 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 4.21 4.94 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.51 1.795 . . . . 0.0 110.989 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.02 -20.65 59.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 110.278 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.414 ' O ' ' N ' ' A' ' 27' ' ' THR . . . -65.38 -14.2 59.43 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.495 1.122 . . . . 0.0 111.019 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -43.4 -48.12 7.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 0.772 . . . . 0.0 109.292 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -45.98 -39.15 8.58 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.108 . . . . 0.0 110.365 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.872 HG22 HG13 ' A' ' 31' ' ' ILE . 98.3 m -93.17 -28.33 16.36 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.475 1.109 . . . . 0.0 110.446 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.551 ' HG2' ' CE2' ' A' ' 72' ' ' TYR . 1.1 tmm_? -41.48 -51.16 3.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 110.337 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.421 ' N ' ' HD2' ' A' ' 28' ' ' ARG . 6.0 mtt180 -60.02 -37.15 78.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.304 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.448 ' N ' ' O ' ' A' ' 27' ' ' THR . 53.4 t -71.61 -51.43 32.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.872 HG13 HG22 ' A' ' 27' ' ' THR . 21.2 mt -53.01 -42.98 46.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -41.56 -43.59 2.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.292 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.1 mmmm -72.17 -39.45 68.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.853 HD21 HD21 ' A' ' 62' ' ' LEU . 45.3 tp -57.07 -64.9 0.72 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.272 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.48 -46.43 76.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.341 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.3 ttp180 -56.99 -37.74 72.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.55 1.156 . . . . 0.0 110.301 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.682 ' CZ ' ' CD1' ' A' ' 45' ' ' LEU . 21.5 t80 -78.4 -39.37 39.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 110.975 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.428 ' C ' ' N ' ' A' ' 40' ' ' GLU . 23.1 t -64.29 -75.84 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 109.272 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.799 ' HB3' HD12 ' A' ' 80' ' ' ILE . . . -40.99 -29.32 0.1 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.125 . . . . 0.0 109.299 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.428 ' N ' ' C ' ' A' ' 38' ' ' VAL . 2.1 mm-40 -62.04 -65.13 0.74 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.278 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -81.48 -62.8 1.92 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.522 1.139 . . . . 0.0 110.948 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 154.19 -144.58 11.38 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -34.11 4.06 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.519 1.799 . . . . 0.0 110.955 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.464 ' O ' HG23 ' A' ' 48' ' ' VAL . 0.7 OUTLIER -51.71 -30.49 22.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 110.338 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.682 ' CD1' ' CZ ' ' A' ' 37' ' ' PHE . 0.1 OUTLIER -73.65 -55.72 5.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.317 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.08 -37.2 6.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.307 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.8 mttt -70.16 -56.29 7.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 109.342 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 44' ' ' GLU . 53.5 t -54.76 -38.85 45.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -49.42 -51.33 36.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 14.0 mtt -57.01 -18.29 13.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.122 . . . . 0.0 110.962 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -93.63 -38.27 11.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.291 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.406 ' HB3' ' CE1' ' A' ' 53' ' ' TYR . 1.1 m-20 -63.66 -31.63 72.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.302 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.758 ' CD2' ' CD2' ' A' ' 59' ' ' PHE . 2.4 m-85 -121.95 31.36 6.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.987 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.14 -37.94 56.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -121.24 69.23 0.9 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.529 1.143 . . . . 0.0 109.265 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.451 ' ND2' ' HA ' ' A' ' 53' ' ' TYR . 2.4 m-80 -135.29 119.87 13.49 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.539 ' HA ' ' CG2' ' A' ' 60' ' ' THR . 18.4 Cg_endo -74.98 -3.3 13.72 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.482 1.78 . . . . 0.0 110.99 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -99.41 -36.73 9.48 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.451 1.094 . . . . 0.0 109.31 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.758 ' CD2' ' CD2' ' A' ' 53' ' ' TYR . 1.2 m-85 -93.53 29.35 2.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 110.985 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.539 ' CG2' ' HA ' ' A' ' 57' ' ' PRO . 66.0 p -69.33 -13.27 62.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.446 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.606 ' CE1' ' CD2' ' A' ' 59' ' ' PHE . 42.8 p90 -68.55 -41.87 79.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.99 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.853 HD21 HD21 ' A' ' 34' ' ' LEU . 11.5 mt -40.12 -71.28 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.145 . . . . 0.0 109.301 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 20.8 m-70 -41.74 -57.27 2.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.63 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.77 129.2 40.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.479 ' O ' ' CD1' ' A' ' 70' ' ' PHE . 4.3 mmtt -90.16 -66.83 0.89 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.431 1.082 . . . . 0.0 109.33 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -99.13 84.41 3.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.263 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 9.8 t -123.61 -71.44 0.72 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 110.03 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.592 ' HA ' HD12 ' A' ' 71' ' ' LEU . 0.0 OUTLIER 174.42 -30.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.323 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.553 ' HG2' HD11 ' A' ' 31' ' ' ILE . 0.1 OUTLIER -89.8 -46.97 8.21 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.456 1.098 . . . . 0.0 110.3 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.479 ' CD1' ' O ' ' A' ' 65' ' ' LYS . 29.7 t80 -55.99 -16.46 4.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 0.0 110.972 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.592 HD12 ' HA ' ' A' ' 68' ' ' ARG . 15.9 mt -79.1 -55.85 4.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.153 . . . . 0.0 109.286 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.551 ' CE2' ' HG2' ' A' ' 28' ' ' ARG . 15.0 t80 -56.35 -43.19 78.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.995 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.944 ' O ' HG23 ' A' ' 77' ' ' VAL . 1.7 t80 -44.11 -30.84 0.81 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 111.014 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.408 ' CD ' ' O ' ' A' ' 70' ' ' PHE . 0.0 OUTLIER -93.69 -31.27 14.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.328 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.403 ' N ' ' O ' ' A' ' 72' ' ' TYR . 24.2 mmt180 -58.14 -36.22 72.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 110.264 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.474 ' O ' ' N ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -86.33 -35.75 19.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.944 HG23 ' O ' ' A' ' 73' ' ' TYR . 2.6 t -41.29 -40.47 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.6 -46.75 81.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.091 . . . . 0.0 109.286 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.474 ' N ' ' O ' ' A' ' 76' ' ' LYS . 22.1 tp10 -56.63 -60.75 3.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 110.312 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.799 HD12 ' HB3' ' A' ' 39' ' ' ALA . 0.0 OUTLIER -61.27 -41.55 90.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.501 ' CG ' ' O ' ' A' ' 77' ' ' VAL . 3.1 mmm180 -40.82 -61.69 0.92 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.304 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.57 ' HD3' ' CD2' ' A' ' 11' ' ' TYR . 0.6 OUTLIER -40.56 -76.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.276 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.2 m -155.46 145.82 21.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 110.032 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -164.6 66.85 0.22 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.483 1.114 . . . . 0.0 110.971 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -87.05 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.47 1.774 . . . . 0.0 110.986 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 174.56 142.93 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.13 . . . . 0.0 109.976 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 28.9 t -77.02 95.99 4.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.952 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.481 1.113 . . . . 0.0 111.039 179.962 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.066 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.4 p -137.85 -58.8 0.67 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 0.776 . . . . 0.0 109.981 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.8 m -39.62 158.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 110.004 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.34 -120.51 1.66 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.484 1.115 . . . . 0.0 110.992 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 69.59 -77.17 0.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 0.768 . . . . 0.0 110.035 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 p -71.8 135.97 46.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 110.016 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -69.21 72.11 0.43 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.528 1.143 . . . . 0.0 110.976 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.426 ' C ' ' N ' ' A' ' 10' ' ' ASP . 19.6 pt-20 -108.83 -44.88 3.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 0.76 . . . . 0.0 110.26 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.404 ' N ' ' HG3' ' A' ' 8' ' ' GLU . 2.7 mt-10 -37.95 -31.97 0.05 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.142 . . . . 0.0 110.27 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.5 ' O ' ' N ' ' A' ' 13' ' ' GLN . 7.6 p-10 -41.94 -53.51 3.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.633 ' HA ' ' HB1' ' A' ' 78' ' ' ALA . 0.2 OUTLIER -37.77 -30.45 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.482 1.114 . . . . 0.0 111.0 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.569 ' HB2' ' CE1' ' A' ' 11' ' ' TYR . 15.9 tt0 -103.93 -29.05 11.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.22 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.5 ' N ' ' O ' ' A' ' 10' ' ' ASP . 1.5 pt20 -66.22 -17.6 64.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 110.294 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.563 ' O ' HD12 ' A' ' 17' ' ' ILE . 28.4 m95 -85.48 -31.7 22.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 108.028 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.465 HD12 ' HA ' ' A' ' 15' ' ' LEU . 0.7 OUTLIER -56.38 -30.9 63.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -57.36 -32.74 67.07 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 110.296 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.563 HD12 ' O ' ' A' ' 14' ' ' TRP . 0.1 OUTLIER -109.01 102.55 14.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 27.4 mmtm -84.12 166.27 17.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.499 HG21 ' N ' ' A' ' 72' ' ' TYR . 65.1 t -89.33 137.91 20.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 109.28 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.496 ' HA ' ' C ' ' A' ' 21' ' ' PRO . 0.1 OUTLIER -92.58 155.72 41.83 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.48 1.113 . . . . 0.0 109.966 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.496 ' C ' ' HA ' ' A' ' 20' ' ' SER . 18.3 Cg_endo -74.97 174.46 52.56 Favored 'Cis proline' 0 C--N 1.361 1.197 0 C-N-CA 121.014 -2.494 . . . . 0.0 111.002 -0.023 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 4.05 5.06 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.517 1.798 . . . . 0.0 111.026 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.92 -25.28 63.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 110.318 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.01 -12.76 38.02 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.48 1.112 . . . . 0.0 111.003 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -40.79 -42.94 1.9 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 0.747 . . . . 0.0 109.287 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -76.16 -57.0 4.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 110.303 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.686 ' O ' HG12 ' A' ' 30' ' ' VAL . 17.5 m -46.84 -25.46 0.76 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.388 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.17 -23.01 1.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.095 . . . . 0.0 110.263 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 86.2 mtt-85 -74.42 -31.36 62.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 110.296 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.686 HG12 ' O ' ' A' ' 27' ' ' THR . 6.1 p -92.86 -14.49 8.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.449 1.093 . . . . 0.0 109.326 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.785 HG23 ' HB2' ' A' ' 73' ' ' TYR . 65.0 mt -87.24 -53.22 10.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.153 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -51.46 -32.34 26.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.287 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 36.6 tptt -60.06 -49.02 79.3 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.499 1.125 . . . . 0.0 109.29 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.943 ' CD1' HD21 ' A' ' 62' ' ' LEU . 0.6 OUTLIER -56.49 -54.24 48.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.452 ' CB ' HG22 ' A' ' 77' ' ' VAL . . . -59.56 -58.56 8.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.402 ' O ' ' HB3' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -49.84 -22.15 1.37 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 110.28 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.545 ' O ' HD12 ' A' ' 45' ' ' LEU . 23.3 t80 -94.47 -29.65 14.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 111.037 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.487 HG12 ' N ' ' A' ' 39' ' ' ALA . 5.5 t -85.73 -75.77 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.27 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.797 ' HB3' HD12 ' A' ' 80' ' ' ILE . . . -39.67 -29.91 0.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.536 1.147 . . . . 0.0 109.263 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.442 ' N ' ' C ' ' A' ' 38' ' ' VAL . 2.1 tt0 -65.07 -67.02 0.47 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 110.251 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -76.7 -69.48 1.39 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.489 1.118 . . . . 0.0 110.989 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 164.28 -147.27 12.5 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.459 ' O ' ' N ' ' A' ' 46' ' ' GLU . 18.3 Cg_endo -74.95 -40.44 0.92 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.478 1.778 . . . . 0.0 111.029 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -47.13 -30.66 2.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 110.294 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.55 ' CD2' ' N ' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -70.47 -36.68 74.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.268 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 43' ' ' PRO . 2.1 tm-20 -70.75 -26.84 63.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.328 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.562 ' N ' ' CD ' ' A' ' 47' ' ' LYS . 0.1 OUTLIER -81.16 -45.52 16.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.332 179.944 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 25.3 t -65.36 -48.57 82.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -48.61 -53.15 19.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.27 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 3.1 mtt -55.68 -18.09 7.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 110.972 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -96.41 -38.0 10.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 110.313 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -70.58 -38.29 74.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.333 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.473 ' CD2' ' CD1' ' A' ' 59' ' ' PHE . 8.7 m-30 -96.18 16.04 19.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.989 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.3 tttm -68.37 -10.29 54.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 109.318 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -108.22 -27.8 9.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 45.7 m-80 -82.88 120.44 76.25 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.461 1.101 . . . . 0.0 109.266 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.687 ' O ' HG22 ' A' ' 60' ' ' THR . 18.3 Cg_endo -75.07 -36.86 2.26 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.447 1.762 . . . . 0.0 110.988 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -50.38 -29.79 10.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.438 1.086 . . . . 0.0 109.316 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.618 ' CD1' ' CE2' ' A' ' 61' ' ' PHE . 0.8 OUTLIER -105.43 23.58 13.54 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.439 1.087 . . . . 0.0 110.996 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.687 HG22 ' O ' ' A' ' 57' ' ' PRO . 10.2 t -71.17 -12.82 61.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 110.423 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.733 ' HZ ' HD12 ' A' ' 34' ' ' LEU . 48.2 p90 -60.65 -34.69 74.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.98 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.943 HD21 ' CD1' ' A' ' 34' ' ' LEU . 32.3 mt -40.2 -55.2 2.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 109.256 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -80.85 58.63 3.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 109.582 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 178.14 116.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.474 ' HG3' ' CE1' ' A' ' 70' ' ' PHE . 0.0 OUTLIER -98.9 48.05 0.97 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 20.1 m-80 -174.09 36.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.556 ' O ' ' CB ' ' A' ' 68' ' ' ARG . 14.7 t -101.07 -5.43 25.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.021 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.556 ' CB ' ' O ' ' A' ' 67' ' ' SER . 1.1 ptt180 88.8 -22.09 0.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.309 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.433 ' N ' ' HG2' ' A' ' 68' ' ' ARG . 1.9 tt0 -89.52 -61.46 1.69 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 110.273 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.474 ' CE1' ' HG3' ' A' ' 65' ' ' LYS . 48.8 t80 -45.09 -34.02 2.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 111.021 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.624 HD22 ' N ' ' A' ' 71' ' ' LEU . 1.6 mm? -69.41 -50.35 46.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.442 1.089 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.646 ' HD2' HG21 ' A' ' 31' ' ' ILE . 77.3 t80 -60.51 -32.14 71.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 111.027 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.785 ' HB2' HG23 ' A' ' 31' ' ' ILE . 1.1 t80 -71.64 -46.15 59.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 110.991 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.79 -32.27 65.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 110.338 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.446 ' NH1' ' O ' ' A' ' 17' ' ' ILE . 67.8 mtt180 -71.97 -70.21 0.35 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 110.271 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.454 ' HD3' HD11 ' A' ' 15' ' ' LEU . 19.4 mmtt -44.64 -34.12 2.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.681 HG23 ' O ' ' A' ' 73' ' ' TYR . 2.4 t -49.68 -36.87 11.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.633 ' HB1' ' HA ' ' A' ' 11' ' ' TYR . . . -68.26 -31.88 71.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.572 1.17 . . . . 0.0 109.291 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.459 ' HB2' ' CD2' ' A' ' 15' ' ' LEU . 32.4 tp10 -71.56 -55.58 7.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 110.251 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.797 HD12 ' HB3' ' A' ' 39' ' ' ALA . 0.0 OUTLIER -64.2 -39.96 87.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.545 1.153 . . . . 0.0 109.268 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.452 ' HG2' ' CB ' ' A' ' 39' ' ' ALA . 4.4 mmm180 -43.55 -62.86 0.96 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 110.245 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.565 ' HG3' ' CE2' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -40.54 -77.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.474 ' CB ' ' O ' ' A' ' 82' ' ' LYS . 0.3 OUTLIER 84.05 86.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.981 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -147.59 90.65 0.15 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.496 1.122 . . . . 0.0 111.027 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 70.77 5.18 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.437 1.757 . . . . 0.0 111.031 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 58.75 108.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 110.004 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -145.48 167.61 22.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.976 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 O-C-N 124.469 1.106 . . . . 0.0 110.989 -179.973 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 64.23 85.73 0.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 0.766 . . . . 0.0 110.021 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 64.9 m 63.08 131.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 110.005 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 126.2 -78.04 0.38 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.488 1.118 . . . . 0.0 111.003 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 m -86.54 81.61 8.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 0.771 . . . . 0.0 109.975 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.9 p -84.11 132.68 34.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.979 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -137.4 149.87 20.49 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.488 1.117 . . . . 0.0 110.984 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.402 ' C ' ' N ' ' A' ' 10' ' ' ASP . 0.1 OUTLIER -174.31 -72.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 0.774 . . . . 0.0 110.303 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.43 ' HA ' ' CD2' ' A' ' 11' ' ' TYR . 8.3 tt0 -44.54 -26.59 0.38 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 110.267 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.457 ' O ' ' N ' ' A' ' 13' ' ' GLN . 2.1 m-20 -47.19 -25.83 1.01 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.525 ' CD1' ' C ' ' A' ' 11' ' ' TYR . 2.3 p90 -48.47 -25.31 1.6 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 111.022 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.403 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 6.5 pt-20 -94.82 -22.6 17.94 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.117 . . . . 0.0 110.298 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.457 ' N ' ' O ' ' A' ' 10' ' ' ASP . 0.1 OUTLIER -61.9 -13.06 21.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 110.321 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.861 ' O ' HD12 ' A' ' 17' ' ' ILE . 31.8 m95 -84.29 -49.12 9.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 107.997 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.515 HD22 ' HB2' ' A' ' 79' ' ' GLU . 0.4 OUTLIER -44.84 -26.79 0.44 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.095 . . . . 0.0 109.315 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.423 ' N ' ' C ' ' A' ' 14' ' ' TRP . 17.7 mt-10 -59.2 -37.66 77.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.29 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.861 HD12 ' O ' ' A' ' 14' ' ' TRP . 0.1 OUTLIER -112.99 96.18 4.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.406 ' HA ' ' NH2' ' A' ' 75' ' ' ARG . 6.4 mmtp -64.64 173.15 2.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.836 HG11 ' O ' ' A' ' 68' ' ' ARG . 60.7 t -87.39 139.97 16.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.14 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.495 ' HA ' ' C ' ' A' ' 21' ' ' PRO . 0.0 OUTLIER -109.0 157.64 36.42 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.987 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.495 ' C ' ' HA ' ' A' ' 20' ' ' SER . 18.1 Cg_endo -75.04 174.44 52.72 Favored 'Cis proline' 0 C--N 1.361 1.205 0 C-N-CA 121.002 -2.499 . . . . 0.0 110.961 0.069 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 4.25 4.9 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.497 1.788 . . . . 0.0 111.015 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -72.19 -22.23 61.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 110.339 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 25' ' ' ALA . . . -69.95 -12.97 68.95 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.45 1.094 . . . . 0.0 110.968 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 24' ' ' GLY . . . -40.21 -36.22 0.49 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 0.757 . . . . 0.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -55.57 -58.81 6.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.3 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.707 ' O ' HG12 ' A' ' 30' ' ' VAL . 31.5 m -73.46 -29.0 62.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 110.373 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.565 ' HG2' ' CE2' ' A' ' 72' ' ' TYR . 3.0 tmm_? -41.45 -27.93 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 110.304 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.42 ' N ' ' C ' ' A' ' 27' ' ' THR . 72.0 mtt180 -74.02 -52.78 11.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 110.267 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.707 HG12 ' O ' ' A' ' 27' ' ' THR . 9.5 p -60.71 -29.01 44.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.686 HG21 ' HD2' ' A' ' 72' ' ' TYR . 66.8 mt -70.91 -44.26 76.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.567 1.167 . . . . 0.0 109.268 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -45.47 -29.72 1.2 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 110.335 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -90.64 -33.39 15.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.762 HD22 ' HZ ' ' A' ' 61' ' ' PHE . 19.2 tp -66.36 -49.77 65.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.147 . . . . 0.0 109.278 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.62 -30.56 71.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 16.4 ttm180 -78.14 -68.24 0.65 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 110.267 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.495 ' CG ' HD12 ' A' ' 45' ' ' LEU . 4.4 t80 -45.72 -24.52 0.37 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 110.929 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.787 HG21 ' OH ' ' A' ' 73' ' ' TYR . 18.1 t -83.02 -75.68 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.261 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.91 ' HB3' HD12 ' A' ' 80' ' ' ILE . . . -45.86 -25.72 0.57 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.348 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.407 ' N ' ' C ' ' A' ' 38' ' ' VAL . 4.9 tp10 -67.97 -55.19 13.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.552 1.157 . . . . 0.0 110.288 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -92.1 -61.7 1.19 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.444 1.09 . . . . 0.0 110.986 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 38' ' ' VAL . . . 152.59 -145.92 13.98 Favored Glycine 0 CA--C 1.531 1.04 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -32.29 5.49 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.47 1.774 . . . . 0.0 111.016 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.594 ' O ' HG23 ' A' ' 48' ' ' VAL . 2.8 mt-10 -50.64 -33.25 21.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 110.29 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.574 ' CD2' ' N ' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -75.58 -44.0 45.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 51.1 tt0 -56.21 -38.7 71.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 0.0 110.3 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.3 mtmt -70.54 -58.89 3.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.594 HG23 ' O ' ' A' ' 44' ' ' GLU . 75.7 t -49.85 -42.66 18.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -47.7 -59.92 2.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.57 1.168 . . . . 0.0 109.333 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 9.5 mtt -47.59 -25.54 1.18 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 111.003 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -88.61 -36.96 16.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.307 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -64.37 -39.68 94.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 109.314 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.78 ' CD2' ' CE1' ' A' ' 59' ' ' PHE . 2.0 m-85 -109.89 26.09 11.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 111.006 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.12 -40.13 45.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.327 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 39.7 t0 -118.04 64.74 0.75 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -134.15 119.81 14.7 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 109.267 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.567 ' C ' HG23 ' A' ' 60' ' ' THR . 18.4 Cg_endo -75.0 -7.28 19.02 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.501 1.79 . . . . 0.0 111.033 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -95.63 -20.85 18.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 0.0 109.312 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.78 ' CE1' ' CD2' ' A' ' 53' ' ' TYR . 1.2 m-85 -106.07 26.67 9.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.424 1.078 . . . . 0.0 111.014 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.567 HG23 ' C ' ' A' ' 57' ' ' PRO . 66.8 p -69.25 -12.4 61.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 110.386 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.762 ' HZ ' HD22 ' A' ' 34' ' ' LEU . 43.4 p90 -70.04 -39.21 75.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 111.013 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.679 HD21 HD21 ' A' ' 34' ' ' LEU . 10.4 mt -39.61 -67.5 0.22 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.332 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 13.1 m-70 -47.07 -50.99 18.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 109.615 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -62.21 110.39 1.61 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.16 . . . . 0.0 109.338 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.586 ' HA ' ' CD2' ' A' ' 70' ' ' PHE . 4.5 mtmp? -107.26 33.08 4.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.326 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.444 ' ND2' ' O ' ' A' ' 65' ' ' LYS . 22.7 m-80 -175.51 52.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 83.5 p -118.23 -70.87 0.77 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.578 1.174 . . . . 0.0 110.035 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.836 ' O ' HG11 ' A' ' 19' ' ' VAL . 0.0 OUTLIER 174.94 -31.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 110.279 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.487 ' N ' ' HG2' ' A' ' 68' ' ' ARG . 0.6 OUTLIER -78.41 -52.45 8.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 110.342 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.586 ' CD2' ' HA ' ' A' ' 65' ' ' LYS . 82.8 t80 -59.46 -21.21 59.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 111.017 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.709 HD12 ' HA ' ' A' ' 68' ' ' ARG . 19.0 mt -75.2 -46.85 31.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.297 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.811 ' CA ' HG21 ' A' ' 19' ' ' VAL . 52.4 t80 -64.44 -46.56 82.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 111.027 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.787 ' OH ' HG21 ' A' ' 38' ' ' VAL . 5.3 t80 -47.56 -36.79 11.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 111.002 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 13.5 mmt180 -74.32 -31.4 62.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 110.295 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.459 ' NH2' ' O ' ' A' ' 17' ' ' ILE . 0.0 OUTLIER -68.27 -73.78 0.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.138 . . . . 0.0 110.298 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 79' ' ' GLU . 0.1 OUTLIER -37.17 -44.92 0.59 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.786 HG23 ' O ' ' A' ' 73' ' ' TYR . 2.9 t -40.28 -46.28 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . -55.65 -48.51 74.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.281 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.515 ' HB2' HD22 ' A' ' 15' ' ' LEU . 24.3 tp10 -55.98 -67.69 0.27 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.123 . . . . 0.0 110.304 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.91 HD12 ' HB3' ' A' ' 39' ' ' ALA . 0.0 OUTLIER -52.82 -39.82 32.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 109.31 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.46 ' HG2' ' HB1' ' A' ' 39' ' ' ALA . 9.7 mmm180 -50.06 -53.4 27.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.25 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.52 ' HG3' ' CZ ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -40.0 144.74 0.18 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.495 ' CB ' ' O ' ' A' ' 82' ' ' LYS . 0.3 OUTLIER 85.74 58.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.158 . . . . 0.0 109.989 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -103.93 -143.17 12.29 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.501 1.126 . . . . 0.0 111.006 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -179.16 4.72 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.498 1.788 . . . . 0.0 110.951 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -139.01 101.44 4.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.007 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 11.4 t -111.1 131.28 55.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.963 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 O-C-N 124.505 1.128 . . . . 0.0 111.01 179.99 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.3 m 56.65 106.7 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.537 0.787 . . . . 0.0 109.981 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 t 65.69 132.42 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 109.996 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -131.07 -58.7 0.09 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.518 1.136 . . . . 0.0 110.995 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -168.87 111.72 0.54 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 0.786 . . . . 0.0 110.038 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.5 m -73.22 145.18 46.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.025 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.84 -158.32 7.57 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.537 1.148 . . . . 0.0 110.99 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.402 ' C ' ' N ' ' A' ' 10' ' ' ASP . 2.0 mt-10 -129.26 -64.24 0.91 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 0.783 . . . . 0.0 110.269 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.474 ' HA ' ' CD2' ' A' ' 11' ' ' TYR . 0.2 OUTLIER -41.51 -28.15 0.12 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 110.324 179.946 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.481 ' CA ' ' HG2' ' A' ' 13' ' ' GLN . 61.5 m-20 -45.18 -26.75 0.52 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.566 ' CD2' ' HG3' ' A' ' 82' ' ' LYS . 4.6 p90 -50.43 -19.5 0.87 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 111.007 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -104.77 -21.64 13.32 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.488 1.117 . . . . 0.0 110.261 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.481 ' HG2' ' CA ' ' A' ' 10' ' ' ASP . 0.6 OUTLIER -65.48 -11.59 44.64 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.546 1.153 . . . . 0.0 110.301 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.668 ' O ' HD12 ' A' ' 17' ' ' ILE . 30.6 m95 -91.07 -26.9 18.93 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.964 -1.124 . . . . 0.0 107.964 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.515 HD13 ' HB2' ' A' ' 79' ' ' GLU . 1.4 tp -66.05 -42.63 89.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -44.66 -37.09 3.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 110.297 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.668 HD12 ' O ' ' A' ' 14' ' ' TRP . 0.4 OUTLIER -113.83 94.82 3.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.514 1.133 . . . . 0.0 109.3 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.514 ' HD2' ' CE1' ' A' ' 72' ' ' TYR . 23.5 mmtp -79.52 -172.03 3.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.498 HG11 ' N ' ' A' ' 72' ' ' TYR . 2.4 m -89.8 166.98 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.125 . . . . 0.0 109.305 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.522 ' HA ' ' C ' ' A' ' 21' ' ' PRO . 81.1 p -116.54 144.7 33.71 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.936 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.522 ' C ' ' HA ' ' A' ' 20' ' ' SER . 18.3 Cg_endo -75.0 174.44 52.7 Favored 'Cis proline' 0 C--N 1.36 1.161 0 C-N-CA 121.018 -2.493 . . . . 0.0 110.998 -0.023 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 3.83 5.28 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.484 1.781 . . . . 0.0 111.017 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -68.62 -25.9 65.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 110.299 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -52.82 -19.11 6.39 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.486 1.116 . . . . 0.0 111.039 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -50.4 -22.88 2.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 0.766 . . . . 0.0 109.309 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -78.37 -55.64 5.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.263 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.448 ' O ' ' N ' ' A' ' 30' ' ' VAL . 5.4 m -64.52 -14.53 57.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.403 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.1 tmm_? -45.91 -49.6 15.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.152 . . . . 0.0 110.346 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.1 mtm180 -56.46 -25.08 49.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 110.321 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.448 ' N ' ' O ' ' A' ' 27' ' ' THR . 72.2 t -95.41 -24.67 4.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 0.0 109.257 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.459 HD11 ' CG ' ' A' ' 69' ' ' GLU . 85.2 mt -80.08 -64.9 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.163 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 31' ' ' ILE . 3.7 mt-10 -37.17 -39.69 0.27 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.555 1.16 . . . . 0.0 110.304 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -46.58 -54.92 8.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 1.002 HD11 HD21 ' A' ' 62' ' ' LEU . 1.2 tt -53.75 -48.14 69.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.26 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.423 ' HB1' HG21 ' A' ' 80' ' ' ILE . . . -60.1 -60.02 4.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.48 ' O ' ' CG ' ' A' ' 40' ' ' GLU . 4.4 tpt180 -45.22 -33.6 2.4 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.451 1.094 . . . . 0.0 110.261 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 32.9 t80 -78.46 -49.32 13.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 0.0 110.982 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.427 HG22 ' N ' ' A' ' 46' ' ' GLU . 2.9 t -66.33 -69.12 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.917 ' HB3' HD12 ' A' ' 80' ' ' ILE . . . -40.39 -33.93 0.29 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.48 ' CG ' ' O ' ' A' ' 36' ' ' ARG . 1.7 mm-40 -57.88 -67.77 0.31 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.261 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -76.94 -67.25 1.69 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.482 1.114 . . . . 0.0 110.993 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 157.6 -143.61 9.69 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -33.75 4.36 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.48 1.779 . . . . 0.0 110.995 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.511 ' O ' HG23 ' A' ' 48' ' ' VAL . 4.7 tt0 -52.67 -29.53 26.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 110.279 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.519 ' CD2' ' N ' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -73.34 -59.49 2.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.369 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.427 ' N ' HG22 ' A' ' 38' ' ' VAL . 11.0 tm-20 -42.4 -38.09 1.77 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.132 . . . . 0.0 110.306 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -71.92 -63.19 1.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 44' ' ' GLU . 61.2 t -48.4 -48.55 13.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 0.0 109.274 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.629 ' HB1' ' CE2' ' A' ' 53' ' ' TYR . . . -44.31 -59.85 2.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.278 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 1.8 mtt -46.46 -23.97 0.45 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.979 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 48' ' ' VAL . 19.2 tp10 -94.82 -52.92 4.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.444 1.09 . . . . 0.0 110.268 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -55.67 -20.91 15.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.433 1.083 . . . . 0.0 109.315 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.629 ' CE2' ' HB1' ' A' ' 49' ' ' ALA . 5.1 m-30 -114.53 21.01 14.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 111.013 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 53' ' ' TYR . 3.5 tttt -38.6 -32.8 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 109.258 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.427 ' N ' ' C ' ' A' ' 53' ' ' TYR . 15.9 m-20 -115.31 80.94 1.5 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.264 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.653 ' O ' HG22 ' A' ' 60' ' ' THR . 1.1 p30 -106.63 121.3 45.58 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 109.263 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.61 ' O ' HG23 ' A' ' 60' ' ' THR . 18.3 Cg_endo -75.02 -61.86 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.49 1.784 . . . . 0.0 110.997 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -95.8 -16.98 21.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.511 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 0.2 OUTLIER -88.25 31.55 0.8 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 110.981 -179.958 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.653 HG22 ' O ' ' A' ' 56' ' ' ASN . 77.8 p -76.08 -12.39 60.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 110.458 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.511 ' CE1' ' HA ' ' A' ' 59' ' ' PHE . 49.6 p90 -63.79 -13.42 43.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 111.035 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 1.002 HD21 HD11 ' A' ' 34' ' ' LEU . 13.8 mt -64.93 -44.58 89.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.249 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.556 ' CE1' ' HB ' ' A' ' 60' ' ' THR . 12.7 p80 -91.07 35.72 0.91 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.147 . . . . 0.0 109.609 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -146.67 93.28 2.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.274 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.581 ' CD ' ' CZ ' ' A' ' 70' ' ' PHE . 14.1 mmtt -60.48 -85.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.35 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 25.3 p30 -70.82 70.83 0.5 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.406 ' O ' ' HB3' ' A' ' 68' ' ' ARG . 2.0 t -115.03 -83.5 0.62 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 109.991 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.444 ' O ' HG21 ' A' ' 19' ' ' VAL . 0.0 OUTLIER 173.51 -30.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 110.279 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.476 ' HB3' ' CG ' ' A' ' 61' ' ' PHE . 1.0 OUTLIER -92.73 -32.83 14.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 110.288 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.581 ' CZ ' ' CD ' ' A' ' 65' ' ' LYS . 58.1 t80 -68.07 -33.16 74.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.989 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.591 HD22 ' N ' ' A' ' 71' ' ' LEU . 2.0 mm? -69.59 -51.91 30.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.249 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.514 ' CE1' ' HD2' ' A' ' 18' ' ' LYS . 34.5 t80 -56.47 -38.92 72.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 110.986 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.944 ' O ' HG23 ' A' ' 77' ' ' VAL . 2.3 t80 -56.98 -26.85 60.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.142 . . . . 0.0 111.004 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 6.1 mtm180 -89.62 -34.42 16.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 110.263 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.499 ' O ' ' CD1' ' A' ' 15' ' ' LEU . 23.3 mmt180 -61.58 -32.66 72.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.291 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.516 ' O ' HG22 ' A' ' 80' ' ' ILE . 8.7 mmtt -86.88 -35.22 19.11 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.944 HG23 ' O ' ' A' ' 73' ' ' TYR . 2.6 t -47.06 -45.31 8.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -66.27 -30.84 71.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.542 1.151 . . . . 0.0 109.281 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.515 ' HB2' HD13 ' A' ' 15' ' ' LEU . 23.4 tp10 -73.01 -56.68 4.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 110.292 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.917 HD12 ' HB3' ' A' ' 39' ' ' ALA . 0.0 OUTLIER -63.81 -40.17 88.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.261 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.49 ' CG ' ' O ' ' A' ' 77' ' ' VAL . 1.8 mmm180 -47.16 -63.8 0.95 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.333 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.566 ' HG3' ' CD2' ' A' ' 11' ' ' TYR . 7.4 mmtt -68.43 150.89 47.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.33 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -156.43 75.0 0.85 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.019 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 53.89 -119.69 12.21 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.479 1.112 . . . . 0.0 111.002 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -177.79 3.72 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.448 1.762 . . . . 0.0 110.973 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.4 t -178.04 107.51 0.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.959 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 15.7 m -91.61 108.97 20.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.953 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.537 1.148 . . . . 0.0 110.968 -179.99 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -170.82 93.04 0.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 0.786 . . . . 0.0 109.956 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -165.17 128.76 2.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 0.0 110.028 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 128.23 -62.07 0.64 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.541 1.15 . . . . 0.0 111.017 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 61.34 75.73 0.4 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 0.748 . . . . 0.0 110.004 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.406 ' O ' ' N ' ' A' ' 8' ' ' GLU . 25.1 m -112.26 140.72 46.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 109.968 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -58.25 86.26 0.01 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.497 1.123 . . . . 0.0 110.994 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' A' ' 6' ' ' SER . 9.8 pt-20 -65.59 116.68 7.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.453 0.737 . . . . 0.0 110.296 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.414 ' HA ' ' CD2' ' A' ' 11' ' ' TYR . 5.8 mt-10 -49.8 -22.18 1.35 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.09 . . . . 0.0 110.261 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.453 ' O ' ' N ' ' A' ' 13' ' ' GLN . 0.7 OUTLIER -60.02 -15.66 24.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.574 ' CE1' ' HB2' ' A' ' 12' ' ' GLU . 4.2 p90 -47.98 -29.76 3.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 111.006 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.574 ' HB2' ' CE1' ' A' ' 11' ' ' TYR . 26.2 tt0 -91.08 -21.64 21.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 110.282 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.455 ' NE2' HD11 ' A' ' 17' ' ' ILE . 0.1 OUTLIER -60.01 -16.7 32.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 110.282 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 27.6 m95 -77.55 -27.69 51.61 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.645 HD11 ' HG3' ' A' ' 79' ' ' GLU . 12.8 mt -62.73 -28.16 69.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -58.96 -33.48 70.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 110.313 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.455 HD11 ' NE2' ' A' ' 13' ' ' GLN . 0.2 OUTLIER -108.83 94.57 3.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.584 1.178 . . . . 0.0 109.283 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.3 mmtp -71.32 163.52 27.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.465 HG11 ' N ' ' A' ' 72' ' ' TYR . 1.2 m -89.61 165.67 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.322 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.524 ' HA ' ' C ' ' A' ' 21' ' ' PRO . 73.2 p -116.59 150.08 44.96 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.127 . . . . 0.0 109.993 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.524 ' C ' ' HA ' ' A' ' 20' ' ' SER . 18.2 Cg_endo -75.06 174.21 53.91 Favored 'Cis proline' 0 C--N 1.359 1.122 0 C-N-CA 120.971 -2.512 . . . . 0.0 110.978 0.039 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 4.46 4.73 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.538 1.809 . . . . 0.0 111.014 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -68.32 -38.68 81.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.28 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -47.09 -26.03 2.87 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.493 1.121 . . . . 0.0 111.011 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -41.5 -36.55 0.91 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 0.772 . . . . 0.0 109.293 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -71.6 -53.33 14.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.303 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.475 ' O ' ' N ' ' A' ' 30' ' ' VAL . 1.8 m -60.54 -14.3 19.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.422 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.429 ' HD2' ' N ' ' A' ' 29' ' ' ARG . 2.7 tmm_? -38.86 -57.61 1.21 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.163 . . . . 0.0 110.294 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.429 ' N ' ' HD2' ' A' ' 28' ' ' ARG . 12.7 mtp180 -48.59 -38.76 21.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.294 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.475 ' N ' ' O ' ' A' ' 27' ' ' THR . 89.2 t -78.48 -55.12 10.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.653 HG23 ' HB2' ' A' ' 73' ' ' TYR . 35.7 mt -48.64 -63.08 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.465 ' OE2' ' CB ' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -45.6 -31.17 1.74 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.097 . . . . 0.0 110.303 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.423 ' CB ' ' O ' ' A' ' 30' ' ' VAL . 14.6 tptt -59.11 -50.42 74.12 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.131 . . . . 0.0 109.272 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.637 HD13 ' HE2' ' A' ' 59' ' ' PHE . 38.2 tp -63.29 -47.68 81.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.38 -49.8 75.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.279 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.9 ttt-85 -63.09 -23.39 67.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.274 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.461 ' CZ ' ' CD1' ' A' ' 45' ' ' LEU . 20.4 t80 -87.03 -36.96 17.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.159 . . . . 0.0 110.982 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.551 HG21 ' OH ' ' A' ' 73' ' ' TYR . 9.4 t -73.45 -73.27 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.915 ' HB3' HD12 ' A' ' 80' ' ' ILE . . . -39.94 -31.05 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.433 ' N ' ' C ' ' A' ' 38' ' ' VAL . 0.6 OUTLIER -58.99 -67.74 0.34 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.163 . . . . 0.0 110.28 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.0 -50.09 5.69 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.505 1.128 . . . . 0.0 110.993 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 38' ' ' VAL . . . 136.2 -142.75 14.03 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -28.19 9.38 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.486 1.782 . . . . 0.0 111.01 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.593 ' O ' HG23 ' A' ' 48' ' ' VAL . 2.1 mt-10 -54.31 -32.8 57.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.282 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.555 ' CD2' ' N ' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -75.55 -42.69 51.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -59.25 -38.94 81.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 0.0 110.337 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 8.5 mtmm -69.85 -49.72 49.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.291 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.593 HG23 ' O ' ' A' ' 44' ' ' GLU . 72.9 t -61.81 -46.81 95.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.335 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -44.75 -56.34 4.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 109.268 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.428 ' HA ' HD23 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -45.14 -24.49 0.25 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 111.028 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' A' ' 48' ' ' VAL . 6.1 mt-10 -95.81 -50.82 4.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 110.277 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -47.1 -47.2 23.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.543 ' CD2' ' CD2' ' A' ' 59' ' ' PHE . 8.0 m-85 -104.96 29.81 6.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 110.987 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -46.78 -43.5 18.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.281 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -119.96 77.94 1.29 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.271 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.403 ' O ' HG22 ' A' ' 60' ' ' THR . 1.1 m120 -134.74 118.64 13.48 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.555 ' C ' HG23 ' A' ' 60' ' ' THR . 18.4 Cg_endo -75.03 -2.53 12.67 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.521 1.801 . . . . 0.0 110.994 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -99.34 -54.54 2.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 0.0 109.319 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.637 ' HE2' HD13 ' A' ' 34' ' ' LEU . 2.8 m-85 -84.68 34.54 0.54 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 111.017 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.555 HG23 ' C ' ' A' ' 57' ' ' PRO . 68.7 p -65.09 -11.33 38.57 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.507 1.13 . . . . 0.0 110.359 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.552 ' CE1' ' HA ' ' A' ' 59' ' ' PHE . 43.3 p90 -75.51 -20.54 58.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 111.011 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.48 HD11 HD21 ' A' ' 34' ' ' LEU . 0.4 OUTLIER -44.04 -71.2 0.08 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.42 ' O ' ' N ' ' A' ' 65' ' ' LYS . 4.4 m-70 -59.25 -74.95 0.06 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.497 1.123 . . . . 0.0 109.551 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 63' ' ' HIS . 0.5 OUTLIER -40.22 99.14 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 63' ' ' HIS . 0.3 OUTLIER -62.37 -48.07 81.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 109.346 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 32.9 m120 -75.87 59.32 1.23 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.097 . . . . 0.0 109.29 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 9.4 t -120.59 130.28 54.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 110.034 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.518 ' HA ' HD12 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -55.83 -24.11 34.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 110.291 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.511 ' HB3' ' CG ' ' A' ' 61' ' ' PHE . 0.7 OUTLIER -85.1 -28.92 25.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 110.315 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -83.07 -16.55 46.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 111.026 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.518 HD12 ' HA ' ' A' ' 68' ' ' ARG . 8.7 mt -82.19 -63.91 1.29 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.117 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.465 ' N ' HG11 ' A' ' 19' ' ' VAL . 30.3 t80 -53.09 -34.09 55.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 111.014 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.958 ' O ' HG23 ' A' ' 77' ' ' VAL . 0.9 OUTLIER -60.48 -30.75 69.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 110.999 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -92.65 -24.87 18.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.325 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -68.17 -40.32 82.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.347 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.465 ' CB ' ' OE2' ' A' ' 32' ' ' GLU . 0.0 OUTLIER -83.51 -24.78 31.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.327 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.958 HG23 ' O ' ' A' ' 73' ' ' TYR . 1.7 t -48.15 -36.97 6.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.319 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.38 -33.3 69.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 109.323 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.645 ' HG3' HD11 ' A' ' 15' ' ' LEU . 5.2 tm-20 -66.99 -51.99 48.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 110.274 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.915 HD12 ' HB3' ' A' ' 39' ' ' ALA . 0.0 OUTLIER -69.54 -36.11 69.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.278 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 10.4 mmm-85 -49.31 -53.51 21.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.299 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.72 136.36 1.41 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 109.344 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.8 t 68.18 54.17 0.59 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.015 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -83.97 158.36 34.81 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.529 1.143 . . . . 0.0 111.013 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 66.98 5.98 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.452 1.764 . . . . 0.0 111.057 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 39.53 82.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 110.009 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 80.5 p -172.09 132.1 0.66 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 0.0 110.047 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 O-C-N 124.507 1.129 . . . . 0.0 110.975 179.99 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 m -44.41 142.16 1.67 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 0.76 . . . . 0.0 109.996 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -117.92 -60.96 1.74 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 110.002 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 73.95 162.74 8.46 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.539 1.149 . . . . 0.0 110.998 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 m -95.2 87.31 4.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 0.782 . . . . 0.0 110.016 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -122.82 119.29 30.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.026 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.42 ' O ' ' N ' ' A' ' 9' ' ' GLU . . . 167.11 -91.9 0.1 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.491 1.119 . . . . 0.0 110.999 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 67.17 -72.67 0.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 0.748 . . . . 0.0 110.285 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.563 ' HA ' ' CD2' ' A' ' 11' ' ' TYR . 7.6 pt-20 -46.54 -24.45 0.53 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.465 1.103 . . . . 0.0 110.283 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 13' ' ' GLN . 1.3 m-20 -46.67 -25.29 0.69 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 109.333 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.583 ' CD2' ' HG3' ' A' ' 82' ' ' LYS . 4.1 p90 -48.67 -22.63 0.81 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 111.037 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.538 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -97.36 -22.5 16.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 110.309 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.451 ' N ' ' O ' ' A' ' 10' ' ' ASP . 1.1 pp0? -60.03 -15.9 26.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 0.0 110.32 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.404 ' HA ' ' CD1' ' A' ' 17' ' ' ILE . 26.8 m95 -76.62 -19.09 58.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 107.992 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.439 HD11 ' HD3' ' A' ' 76' ' ' LYS . 9.5 mt -72.74 -23.28 60.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -62.97 -32.26 73.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 110.283 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.632 ' H ' HD12 ' A' ' 17' ' ' ILE . 0.1 OUTLIER -113.39 94.47 3.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.147 . . . . 0.0 109.279 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.0 mmtm -61.52 164.1 6.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.666 HG21 ' CA ' ' A' ' 72' ' ' TYR . 55.9 t -87.0 128.6 39.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.511 ' HA ' ' C ' ' A' ' 21' ' ' PRO . 0.4 OUTLIER -88.95 148.39 41.08 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.496 1.123 . . . . 0.0 110.013 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.511 ' C ' ' HA ' ' A' ' 20' ' ' SER . 18.3 Cg_endo -75.05 174.55 52.15 Favored 'Cis proline' 0 C--N 1.36 1.143 0 C-N-CA 120.999 -2.5 . . . . 0.0 110.976 0.033 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 4.49 4.7 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.489 1.784 . . . . 0.0 110.983 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -68.3 -36.05 78.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.262 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 25' ' ' ALA . . . -64.3 -12.53 51.13 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.45 1.094 . . . . 0.0 110.996 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.495 ' O ' ' CG ' ' A' ' 28' ' ' ARG . . . -39.03 -75.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 0.769 . . . . 0.0 109.299 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -39.78 -54.49 2.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 110.283 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.535 HG21 ' CD ' ' A' ' 69' ' ' GLU . 7.1 m -42.67 -38.33 2.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 110.373 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.495 ' CG ' ' O ' ' A' ' 25' ' ' ALA . 0.0 OUTLIER -40.2 -28.49 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 110.308 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.437 ' N ' ' C ' ' A' ' 27' ' ' THR . 5.7 mtm180 -62.07 -47.48 84.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 110.301 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.461 ' N ' ' O ' ' A' ' 27' ' ' THR . 1.1 p -77.85 -37.37 23.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.463 ' CG2' ' HA ' ' A' ' 73' ' ' TYR . 11.9 mt -60.3 -56.94 14.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.136 . . . . 0.0 109.344 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -45.3 -28.28 0.79 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 110.277 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.2 tptt -75.55 -43.05 50.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 109.314 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 1.072 HD21 HD21 ' A' ' 62' ' ' LEU . 32.4 tp -70.82 -41.3 71.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 109.279 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.95 -46.28 85.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.433 ' NH1' ' OE2' ' A' ' 40' ' ' GLU . 18.0 ttt-85 -63.24 -59.95 4.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 110.304 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.565 ' CZ ' HD13 ' A' ' 45' ' ' LEU . 10.5 t80 -46.45 -45.68 18.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.981 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.457 HG11 ' OH ' ' A' ' 73' ' ' TYR . 6.7 t -66.92 -74.37 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.45 1.094 . . . . 0.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.947 ' HB3' HD12 ' A' ' 80' ' ' ILE . . . -38.74 -31.44 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.448 ' N ' ' C ' ' A' ' 38' ' ' VAL . 0.2 OUTLIER -61.22 -63.65 1.22 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 110.286 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -86.21 -69.7 1.33 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.482 1.114 . . . . 0.0 111.016 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 159.8 -141.5 7.53 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -29.1 8.6 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.448 1.762 . . . . 0.0 111.013 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.424 ' O ' HG23 ' A' ' 48' ' ' VAL . 30.5 tt0 -54.78 -32.15 59.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 110.329 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.565 HD13 ' CZ ' ' A' ' 37' ' ' PHE . 0.1 OUTLIER -76.63 -40.91 47.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.339 179.95 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.51 -43.55 84.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.088 . . . . 0.0 110.271 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 8.7 mttt -66.05 -52.76 46.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 0.0 109.327 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 44' ' ' GLU . 55.0 t -57.48 -36.71 54.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 109.343 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.402 ' CB ' HD11 ' A' ' 34' ' ' LEU . . . -55.05 -49.23 72.12 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.134 . . . . 0.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.474 ' HG2' ' CE1' ' A' ' 63' ' ' HIS . 6.5 mtt -57.65 -23.64 52.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 110.968 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -82.76 -47.86 11.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.292 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.94 -45.18 64.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.649 ' CD2' ' CD1' ' A' ' 59' ' ' PHE . 11.7 m-85 -103.67 24.34 11.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.972 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -41.15 -37.63 0.93 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.272 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -125.91 63.68 1.22 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.348 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.4 ' CB ' ' HB3' ' A' ' 53' ' ' TYR . 0.8 OUTLIER -135.25 120.83 14.02 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 0.0 109.286 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.634 ' O ' HG22 ' A' ' 60' ' ' THR . 18.2 Cg_endo -75.05 -18.67 18.42 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.452 1.764 . . . . 0.0 111.005 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -79.25 -41.93 27.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.331 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.649 ' CD1' ' CD2' ' A' ' 53' ' ' TYR . 0.7 OUTLIER -99.11 22.92 9.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.999 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.634 HG22 ' O ' ' A' ' 57' ' ' PRO . 5.1 t -69.87 -12.82 61.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.393 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.686 ' HZ ' HD22 ' A' ' 34' ' ' LEU . 48.4 p90 -62.3 -38.72 90.47 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 110.969 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 1.072 HD21 HD21 ' A' ' 34' ' ' LEU . 17.5 mt -40.41 -68.93 0.15 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.343 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.474 ' CE1' ' HG2' ' A' ' 50' ' ' MET . 14.4 m-70 -50.88 -74.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.589 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.63 97.13 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.436 1.085 . . . . 0.0 109.28 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 67' ' ' SER . 0.1 OUTLIER -65.09 -74.68 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.402 1.064 . . . . 0.0 109.294 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 16.6 m-80 -68.65 68.02 0.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 65' ' ' LYS . 0.9 OUTLIER -108.19 -72.29 0.73 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.521 1.138 . . . . 0.0 109.97 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.524 ' O ' HG11 ' A' ' 19' ' ' VAL . 0.5 OUTLIER 167.45 -32.04 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 110.298 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.535 ' CD ' HG21 ' A' ' 27' ' ' THR . 13.8 mt-10 -92.74 -37.35 12.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.291 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -54.65 -39.7 68.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 0.0 110.989 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.78 ' N ' HD13 ' A' ' 71' ' ' LEU . 0.1 OUTLIER -60.93 -43.55 98.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 109.282 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.666 ' CA ' HG21 ' A' ' 19' ' ' VAL . 76.0 t80 -65.17 -47.62 76.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 0.0 111.021 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.622 ' O ' HG23 ' A' ' 77' ' ' VAL . 1.3 t80 -42.28 -53.17 4.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 111.007 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -62.92 -33.88 76.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.293 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.444 ' HD2' ' CG2' ' A' ' 19' ' ' VAL . 0.0 OUTLIER -57.51 -75.81 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.324 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.473 ' O ' HG22 ' A' ' 80' ' ' ILE . 0.3 OUTLIER -51.77 -34.32 39.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.329 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.622 HG23 ' O ' ' A' ' 73' ' ' TYR . 1.4 t -47.08 -24.66 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.404 ' N ' ' C ' ' A' ' 76' ' ' LYS . . . -80.78 -41.83 22.74 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.46 ' OE1' ' CB ' ' A' ' 12' ' ' GLU . 12.1 tp10 -60.65 -46.37 90.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 110.278 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.947 HD12 ' HB3' ' A' ' 39' ' ' ALA . 0.0 OUTLIER -71.79 -38.23 64.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.411 ' CG ' ' O ' ' A' ' 77' ' ' VAL . 8.5 mmm-85 -47.3 -67.76 0.25 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.277 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.583 ' HG3' ' CD2' ' A' ' 11' ' ' TYR . 3.6 tmtt? -44.19 -54.92 5.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.556 1.16 . . . . 0.0 109.258 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 80' ' ' ILE . 0.4 OUTLIER -107.03 76.39 1.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.978 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -129.74 -103.46 1.05 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.465 1.103 . . . . 0.0 110.947 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -88.65 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.499 1.789 . . . . 0.0 111.017 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 172.75 161.63 0.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.427 1.08 . . . . 0.0 110.013 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 11.6 p -168.88 137.6 2.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 110.0 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.042 0 O-C-N 124.482 1.114 . . . . 0.0 110.982 -179.988 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 64.03 101.26 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 0.785 . . . . 0.0 109.992 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 t -177.55 -61.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.015 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.17 117.2 0.75 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.472 1.107 . . . . 0.0 111.006 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -178.37 85.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 0.75 . . . . 0.0 109.981 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.78 122.32 26.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.973 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.56 81.13 0.11 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.462 1.101 . . . . 0.0 110.992 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.5 pm0 -87.25 -19.93 27.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 0.76 . . . . 0.0 110.274 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.457 ' HA ' ' CD2' ' A' ' 11' ' ' TYR . 2.7 tt0 -65.99 -9.3 28.95 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.46 1.1 . . . . 0.0 110.313 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.428 ' O ' ' N ' ' A' ' 13' ' ' GLN . 8.7 m-20 -64.85 -12.25 46.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.582 ' CE1' ' HB3' ' A' ' 12' ' ' GLU . 4.6 p90 -50.1 -20.91 1.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 111.021 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.582 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 3.8 pt-20 -100.72 -19.43 16.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 110.296 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.478 ' O ' HD11 ' A' ' 17' ' ' ILE . 0.7 OUTLIER -64.01 -11.68 31.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.273 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.926 ' O ' HD12 ' A' ' 17' ' ' ILE . 31.4 m95 -84.19 -38.26 20.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 108.003 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.846 HD11 ' HD3' ' A' ' 76' ' ' LYS . 1.1 tp -57.09 -39.27 74.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -45.96 -32.18 2.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.355 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.926 HD12 ' O ' ' A' ' 14' ' ' TRP . 0.1 OUTLIER -113.2 94.65 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.341 179.95 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.89 162.33 16.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.586 HG21 ' CA ' ' A' ' 72' ' ' TYR . 26.4 t -87.1 158.3 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.561 1.163 . . . . 0.0 109.343 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.51 ' HA ' ' C ' ' A' ' 21' ' ' PRO . 0.0 OUTLIER -108.09 154.55 41.14 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 109.951 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.51 ' C ' ' HA ' ' A' ' 20' ' ' SER . 18.1 Cg_endo -75.03 174.42 52.78 Favored 'Cis proline' 0 C--N 1.36 1.159 0 C-N-CA 121.008 -2.497 . . . . 0.0 110.99 0.034 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 4.05 5.1 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.505 1.792 . . . . 0.0 111.0 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -75.1 -14.48 60.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 110.325 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 25' ' ' ALA . . . -85.7 -12.63 71.67 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.454 1.096 . . . . 0.0 110.975 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.418 ' O ' ' CG ' ' A' ' 28' ' ' ARG . . . -39.93 -62.57 0.7 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 0.758 . . . . 0.0 109.323 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -59.06 -50.21 74.93 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.552 1.158 . . . . 0.0 110.293 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.509 ' O ' HG12 ' A' ' 30' ' ' VAL . 24.9 m -41.77 -31.01 0.27 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 110.433 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.418 ' CG ' ' O ' ' A' ' 25' ' ' ALA . 0.2 OUTLIER -42.6 -26.58 0.13 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.14 . . . . 0.0 110.289 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.415 ' N ' ' C ' ' A' ' 27' ' ' THR . 1.1 mtm-85 -64.05 -40.83 97.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.278 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.553 HG22 ' HE1' ' A' ' 59' ' ' PHE . 2.1 p -83.79 -32.95 9.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.449 HD12 ' CD2' ' A' ' 72' ' ' TYR . 9.6 mt -67.42 -57.76 8.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.141 . . . . 0.0 109.311 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 31' ' ' ILE . 15.5 mt-10 -36.1 -35.68 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 0.0 110.332 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.409 ' N ' ' O ' ' A' ' 31' ' ' ILE . 3.8 tptp -49.2 -54.11 18.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.287 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 1.113 ' CD1' HD11 ' A' ' 62' ' ' LEU . 0.5 OUTLIER -64.54 -43.57 93.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.284 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.998 ' HA ' HG12 ' A' ' 77' ' ' VAL . . . -52.33 -45.73 65.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 8.6 ttt180 -71.12 -60.75 2.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.15 . . . . 0.0 110.306 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.636 ' CZ ' HD13 ' A' ' 45' ' ' LEU . 22.6 t80 -44.47 -48.92 10.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 110.955 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 1.009 HG21 ' OH ' ' A' ' 73' ' ' TYR . 42.2 t -60.34 -75.88 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.622 ' HB3' HD12 ' A' ' 80' ' ' ILE . . . -40.96 -39.67 1.22 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -50.04 -67.11 0.29 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.306 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -85.64 -61.74 1.67 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.532 1.145 . . . . 0.0 111.03 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 38' ' ' VAL . . . 149.79 -139.44 7.39 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -33.47 4.55 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.51 1.795 . . . . 0.0 110.986 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.547 ' O ' HG23 ' A' ' 48' ' ' VAL . 0.2 OUTLIER -53.97 -30.54 47.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.353 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.636 HD13 ' CZ ' ' A' ' 37' ' ' PHE . 0.1 OUTLIER -72.92 -54.61 8.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.138 . . . . 0.0 109.281 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -49.09 -25.99 2.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 110.299 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.82 -50.94 7.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.547 HG23 ' O ' ' A' ' 44' ' ' GLU . 72.5 t -61.41 -33.41 56.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.341 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.448 ' O ' ' CD2' ' A' ' 53' ' ' TYR . . . -55.39 -46.18 76.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.138 . . . . 0.0 109.305 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 12.8 mtt -63.84 -15.89 59.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.547 1.154 . . . . 0.0 111.035 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -89.04 -44.67 10.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.132 . . . . 0.0 110.311 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.04 -38.67 88.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.448 ' CD2' ' O ' ' A' ' 49' ' ' ALA . 20.5 m-85 -102.99 18.03 22.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 111.039 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.81 -27.68 5.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -130.44 62.33 1.59 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -134.49 119.19 14.0 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.71 ' O ' HG22 ' A' ' 60' ' ' THR . 18.2 Cg_endo -74.97 -25.01 12.34 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.555 1.818 . . . . 0.0 110.981 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -75.14 -47.22 29.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.611 ' HA ' ' CE2' ' A' ' 61' ' ' PHE . 0.2 OUTLIER -96.54 22.31 8.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 110.992 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.71 HG22 ' O ' ' A' ' 57' ' ' PRO . 4.9 t -66.58 -11.7 54.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.1 . . . . 0.0 110.427 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.698 ' CE1' ' CD1' ' A' ' 62' ' ' LEU . 44.1 p90 -64.89 -14.49 59.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 111.027 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 1.113 HD11 ' CD1' ' A' ' 34' ' ' LEU . 0.4 OUTLIER -58.86 -60.07 4.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -73.36 65.72 0.89 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.632 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.426 ' O ' ' CG ' ' A' ' 70' ' ' PHE . 0.5 OUTLIER -174.18 112.66 0.17 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.305 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.549 ' HG3' ' CE2' ' A' ' 70' ' ' PHE . 0.0 OUTLIER -104.94 46.14 0.93 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 109.254 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 171.4 42.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.267 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.405 ' O ' ' HB3' ' A' ' 68' ' ' ARG . 30.2 t -100.39 -82.21 0.46 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.985 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.452 ' HG2' ' N ' ' A' ' 69' ' ' GLU . 0.6 OUTLIER 175.96 -30.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.157 . . . . 0.0 110.272 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.452 ' N ' ' HG2' ' A' ' 68' ' ' ARG . 0.3 OUTLIER -91.29 -36.77 13.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 110.281 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.549 ' CE2' ' HG3' ' A' ' 65' ' ' LYS . 73.8 t80 -69.42 -24.41 63.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.132 . . . . 0.0 111.007 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.405 ' O ' ' HG2' ' A' ' 75' ' ' ARG . 43.7 mt -73.05 -59.44 2.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.244 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.586 ' CA ' HG21 ' A' ' 19' ' ' VAL . 83.5 t80 -55.05 -35.68 64.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.463 1.102 . . . . 0.0 111.002 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 1.029 ' O ' HG13 ' A' ' 77' ' ' VAL . 1.9 t80 -52.26 -57.18 10.49 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.454 1.097 . . . . 0.0 110.981 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.401 ' O ' HG22 ' A' ' 77' ' ' VAL . 2.2 mmm180 -65.57 -15.37 62.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 110.332 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.493 ' O ' ' CD1' ' A' ' 15' ' ' LEU . 1.7 mmt85 -86.27 -22.25 26.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.332 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.846 ' HD3' HD11 ' A' ' 15' ' ' LEU . 0.4 OUTLIER -93.92 -39.69 10.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 1.029 HG13 ' O ' ' A' ' 73' ' ' TYR . 3.5 m -51.24 -46.57 33.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.103 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.406 ' N ' ' CG2' ' A' ' 77' ' ' VAL . . . -53.21 -45.49 68.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.34 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.469 ' HB2' HD22 ' A' ' 15' ' ' LEU . 11.9 tp10 -57.62 -65.92 0.55 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.498 1.123 . . . . 0.0 110.308 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.622 HD12 ' HB3' ' A' ' 39' ' ' ALA . 0.0 OUTLIER -56.74 -41.15 74.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 109.347 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.537 ' HG2' ' HB2' ' A' ' 39' ' ' ALA . 3.5 mmm180 -44.17 -68.59 0.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.31 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.581 ' HB3' ' CE2' ' A' ' 11' ' ' TYR . 1.3 mmtt -61.87 140.62 58.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.571 1.17 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -109.01 -44.74 3.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 109.951 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 146.09 -78.65 0.24 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.501 1.126 . . . . 0.0 110.997 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -88.6 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.504 1.791 . . . . 0.0 111.002 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 176.65 123.51 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 110.031 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 6.2 t -90.61 108.76 20.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.569 1.168 . . . . 0.0 110.0 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.52 1.137 . . . . 0.0 111.027 -179.991 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -116.37 147.37 41.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 0.787 . . . . 0.0 109.973 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.6 t -39.69 146.69 0.1 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.467 1.104 . . . . 0.0 110.037 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 47.65 -153.76 1.48 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.432 1.082 . . . . 0.0 110.988 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -119.1 117.38 28.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 0.738 . . . . 0.0 109.961 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.9 p -120.17 88.25 2.9 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.446 1.091 . . . . 0.0 110.01 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -93.14 113.98 4.58 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.504 1.127 . . . . 0.0 110.972 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -138.36 -81.83 0.32 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 0.733 . . . . 0.0 110.308 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -86.36 -11.3 52.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 110.287 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.434 ' O ' ' N ' ' A' ' 13' ' ' GLN . 47.6 m-20 -60.21 -16.45 33.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.584 ' CD1' ' C ' ' A' ' 11' ' ' TYR . 1.1 p90 -48.16 -25.51 1.51 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.1 . . . . 0.0 111.023 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.576 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 1.0 OUTLIER -96.26 -22.8 17.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.125 . . . . 0.0 110.304 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.434 ' N ' ' O ' ' A' ' 10' ' ' ASP . 0.1 OUTLIER -58.54 -19.58 38.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 110.286 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 24.7 m95 -73.95 -37.1 64.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 107.972 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.461 HD11 ' HG2' ' A' ' 79' ' ' GLU . 5.6 mt -55.12 -22.8 18.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -63.04 -42.72 99.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 0.0 110.327 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.589 ' H ' HD12 ' A' ' 17' ' ' ILE . 0.1 OUTLIER -102.29 94.56 3.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.454 1.096 . . . . 0.0 109.279 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.85 160.23 31.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 0.0 109.307 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.651 HG11 ' N ' ' A' ' 72' ' ' TYR . 0.9 OUTLIER -87.27 157.02 3.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.33 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.516 ' HA ' ' C ' ' A' ' 21' ' ' PRO . 5.3 p -111.1 153.51 43.88 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 110.015 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.516 ' C ' ' HA ' ' A' ' 20' ' ' SER . 18.4 Cg_endo -74.95 174.35 53.09 Favored 'Cis proline' 0 C--N 1.36 1.159 0 C-N-CA 120.999 -2.501 . . . . 0.0 111.021 -0.034 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 4.38 4.79 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.467 1.772 . . . . 0.0 111.065 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -68.69 -43.04 76.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.277 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -56.61 -18.39 23.52 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.496 1.123 . . . . 0.0 111.019 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.5 ' O ' ' CG ' ' A' ' 28' ' ' ARG . . . -45.9 -49.2 15.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 0.746 . . . . 0.0 109.304 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -68.05 -41.34 82.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 110.308 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 94.3 m -60.6 -14.84 22.63 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.51 1.131 . . . . 0.0 110.424 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.501 ' CZ ' ' OE2' ' A' ' 32' ' ' GLU . 0.0 OUTLIER -46.76 -36.65 7.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 110.244 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 9.0 mtm180 -55.51 -27.6 49.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.566 1.166 . . . . 0.0 110.338 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.484 ' CG1' ' CE2' ' A' ' 59' ' ' PHE . 99.6 t -95.27 -27.82 4.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.782 HG23 ' HB2' ' A' ' 73' ' ' TYR . 59.4 mt -74.79 -56.56 8.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.438 1.086 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.501 ' OE2' ' CZ ' ' A' ' 28' ' ' ARG . 82.0 mt-10 -41.07 -38.85 1.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 110.323 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.8 mmtm -60.65 -47.49 86.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 0.0 109.317 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 1.015 ' CD1' HD21 ' A' ' 62' ' ' LEU . 0.2 OUTLIER -63.32 -50.99 67.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.93 -40.21 88.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.3 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.401 ' O ' ' N ' ' A' ' 40' ' ' GLU . 33.5 ttt180 -65.05 -68.07 0.39 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 0.0 110.32 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.65 ' CE2' HD13 ' A' ' 45' ' ' LEU . 25.7 t80 -44.83 -43.73 8.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 111.003 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.522 HG21 ' OH ' ' A' ' 73' ' ' TYR . 23.8 t -61.89 -76.33 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.918 ' HB3' HD12 ' A' ' 80' ' ' ILE . . . -45.42 -26.68 0.58 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.332 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.422 ' N ' ' C ' ' A' ' 38' ' ' VAL . 0.5 OUTLIER -64.49 -62.61 1.49 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 110.32 179.954 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -83.84 -60.52 1.95 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.562 1.164 . . . . 0.0 111.028 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 153.09 -142.7 9.49 Favored Glycine 0 CA--C 1.529 0.952 0 N-CA-C 111.024 -0.831 . . . . 0.0 111.024 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.454 ' O ' ' N ' ' A' ' 46' ' ' GLU . 18.4 Cg_endo -75.01 -46.96 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.477 1.777 . . . . 0.0 110.99 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -42.62 -31.53 0.47 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.284 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.65 HD13 ' CE2' ' A' ' 37' ' ' PHE . 0.1 OUTLIER -68.05 -46.83 70.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 43' ' ' PRO . 2.6 tm-20 -60.33 -31.62 70.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 110.312 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.559 ' N ' ' CD ' ' A' ' 47' ' ' LYS . 0.1 OUTLIER -74.56 -36.58 63.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 109.349 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 23.7 t -77.43 -38.04 25.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -53.3 -43.74 67.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.11 . . . . 0.0 109.297 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 24.1 mtt -68.26 -12.46 61.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 111.002 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -98.26 -40.19 8.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 110.297 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.418 ' HB3' ' CE1' ' A' ' 53' ' ' TYR . 1.9 m-20 -62.58 -42.0 99.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.328 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.495 ' CD2' ' CD1' ' A' ' 59' ' ' PHE . 1.9 m-85 -108.95 31.13 5.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 110.976 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.91 -52.01 52.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -103.13 65.91 0.88 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.32 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.403 ' O ' ' HB ' ' A' ' 60' ' ' THR . 0.6 OUTLIER -135.11 120.07 13.78 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.297 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -11.34 21.44 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.494 1.786 . . . . 0.0 110.973 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -91.81 -42.56 10.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.283 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.635 ' CD1' ' CE2' ' A' ' 61' ' ' PHE . 1.3 m-85 -99.41 20.95 12.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.14 . . . . 0.0 111.015 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.403 ' HB ' ' O ' ' A' ' 56' ' ' ASN . 2.3 t -66.83 -12.64 59.79 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 110.404 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.763 ' HZ ' HD12 ' A' ' 34' ' ' LEU . 46.4 p90 -64.19 -34.28 77.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.427 1.079 . . . . 0.0 110.978 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 1.015 HD21 ' CD1' ' A' ' 34' ' ' LEU . 35.5 mt -44.12 -54.3 5.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.338 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -73.62 58.3 0.59 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 109.567 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.4 t0 171.88 115.13 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.127 . . . . 0.0 109.317 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.565 ' HD2' ' CZ ' ' A' ' 70' ' ' PHE . 8.3 mmtp -68.03 -71.24 0.22 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 54.3 m-80 -79.61 72.63 6.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.32 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -108.32 -74.58 0.65 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.02 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.454 ' HA ' ' CD2' ' A' ' 71' ' ' LEU . 10.7 ptm180 170.74 -35.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 110.323 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.472 ' HG2' ' CD1' ' A' ' 31' ' ' ILE . 1.5 mt-10 -94.67 -32.38 13.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 110.335 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.565 ' CZ ' ' HD2' ' A' ' 65' ' ' LYS . 66.9 t80 -61.99 -36.89 82.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 110.997 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.812 ' N ' HD13 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -63.51 -61.87 2.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 109.278 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.664 ' HD2' HG21 ' A' ' 31' ' ' ILE . 82.9 t80 -54.04 -29.27 43.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 111.0 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.782 ' HB2' HG23 ' A' ' 31' ' ' ILE . 0.8 OUTLIER -78.9 -16.2 57.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 0.0 110.968 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.6 mmm180 -93.35 -38.6 11.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.29 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.5 ' NH1' HG13 ' A' ' 19' ' ' VAL . 0.1 OUTLIER -67.75 -42.41 81.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 110.338 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.49 ' O ' HG22 ' A' ' 80' ' ' ILE . 0.0 OUTLIER -74.11 -32.51 63.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.341 179.941 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.669 HG23 ' O ' ' A' ' 73' ' ' TYR . 0.9 OUTLIER -49.38 -23.56 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.118 . . . . 0.0 109.281 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -86.49 -34.13 20.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' A' ' 76' ' ' LYS . 22.4 tp10 -67.3 -39.82 85.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 110.282 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.918 HD12 ' HB3' ' A' ' 39' ' ' ALA . 0.0 OUTLIER -78.42 -40.09 24.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.411 ' O ' ' C ' ' A' ' 82' ' ' LYS . 3.1 mmm180 -42.65 -60.27 1.61 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 110.328 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.426 ' HG2' ' N ' ' A' ' 83' ' ' SER . 0.0 OUTLIER -39.86 146.93 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.426 ' N ' ' HG2' ' A' ' 82' ' ' LYS . 13.9 t 174.87 81.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 110.03 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 83' ' ' SER . . . -37.48 98.89 0.01 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.478 1.111 . . . . 0.0 110.961 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 55.7 4.0 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.487 1.782 . . . . 0.0 111.028 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 40.74 81.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.145 . . . . 0.0 110.003 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 14.7 m -135.25 -66.8 0.56 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.997 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.478 1.111 . . . . 0.0 110.993 -179.994 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -175.58 159.86 2.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 0.771 . . . . 0.0 109.984 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -170.33 95.57 0.24 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 109.974 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 81.85 134.26 1.79 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.502 1.126 . . . . 0.0 111.015 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.9 t -91.89 -54.22 3.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 0.744 . . . . 0.0 109.981 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -91.24 130.17 37.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.439 1.087 . . . . 0.0 109.999 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -124.07 75.6 0.38 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.522 1.139 . . . . 0.0 111.037 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.433 ' C ' ' N ' ' A' ' 10' ' ' ASP . 0.9 OUTLIER -108.36 -72.34 0.73 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 0.777 . . . . 0.0 110.29 -179.942 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.444 ' O ' ' CG ' ' A' ' 12' ' ' GLU . 3.2 mt-10 -40.01 -29.16 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 110.32 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 13' ' ' GLN . 0.7 OUTLIER -44.18 -35.75 2.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.303 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.595 ' CD1' ' C ' ' A' ' 11' ' ' TYR . 0.7 OUTLIER -49.22 -24.69 1.86 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 111.017 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.444 ' CG ' ' O ' ' A' ' 9' ' ' GLU . 0.0 OUTLIER -95.48 -21.34 18.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.291 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.441 ' N ' ' O ' ' A' ' 10' ' ' ASP . 0.0 OUTLIER -63.88 -11.62 29.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.132 . . . . 0.0 110.316 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 39.1 m95 -88.51 -30.29 19.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.127 . . . . 0.0 107.988 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.731 HD11 ' HD3' ' A' ' 76' ' ' LYS . 1.0 OUTLIER -56.38 -39.6 73.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.329 179.944 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -60.78 -19.35 59.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 110.278 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.426 ' HB ' ' NH1' ' A' ' 75' ' ' ARG . 0.8 OUTLIER -109.32 94.58 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.53 156.1 25.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.607 HG21 ' CA ' ' A' ' 72' ' ' TYR . 21.8 t -88.46 130.69 37.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.493 ' HA ' ' C ' ' A' ' 21' ' ' PRO . 0.0 OUTLIER -93.21 156.66 39.95 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.955 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.493 ' C ' ' HA ' ' A' ' 20' ' ' SER . 18.3 Cg_endo -74.98 174.31 53.33 Favored 'Cis proline' 0 C--N 1.361 1.193 0 C-N-CA 120.972 -2.512 . . . . 0.0 111.043 -0.043 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 4.45 4.72 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.486 1.782 . . . . 0.0 111.003 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -71.07 -24.26 62.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 110.321 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -71.07 -12.62 71.93 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.479 1.112 . . . . 0.0 111.05 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.405 ' O ' ' CG ' ' A' ' 28' ' ' ARG . . . -57.8 -19.61 29.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 0.773 . . . . 0.0 109.356 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -78.3 -40.21 37.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.327 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.564 HG22 HG13 ' A' ' 31' ' ' ILE . 63.6 m -83.08 -14.92 52.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.413 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.405 ' CG ' ' O ' ' A' ' 25' ' ' ALA . 0.4 OUTLIER -50.42 -22.88 2.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 0.0 110.29 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.6 mtp180 -76.72 -27.12 55.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.317 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.421 ' N ' ' O ' ' A' ' 27' ' ' THR . 64.8 t -95.16 -26.36 4.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 0.0 109.281 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.564 HG13 HG22 ' A' ' 27' ' ' THR . 20.8 mt -69.9 -54.67 17.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -40.3 -35.32 0.4 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 110.318 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.4 tptp -58.54 -49.82 76.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 109.326 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.568 HD11 HD11 ' A' ' 62' ' ' LEU . 0.6 OUTLIER -54.78 -50.62 68.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.97 -54.87 42.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.293 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.465 ' O ' ' CB ' ' A' ' 40' ' ' GLU . 16.4 ttt180 -59.15 -16.45 20.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 110.259 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.604 ' O ' HD12 ' A' ' 45' ' ' LEU . 11.8 t80 -95.17 -25.56 16.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 110.981 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.535 HG21 ' OH ' ' A' ' 73' ' ' TYR . 23.7 t -94.55 -76.61 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.764 ' HB3' HD12 ' A' ' 80' ' ' ILE . . . -39.83 -29.44 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.465 ' CB ' ' O ' ' A' ' 36' ' ' ARG . 4.7 tp10 -66.24 -67.84 0.42 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 110.295 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -77.4 -64.22 2.12 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.503 1.127 . . . . 0.0 111.001 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 154.07 -145.75 13.32 Favored Glycine 0 CA--C 1.53 0.986 0 N-CA-C 110.976 -0.849 . . . . 0.0 110.976 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -29.54 8.15 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.451 1.763 . . . . 0.0 110.99 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.702 ' O ' HG23 ' A' ' 48' ' ' VAL . 0.7 OUTLIER -53.64 -31.0 45.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 0.0 110.311 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.604 HD12 ' O ' ' A' ' 37' ' ' PHE . 0.1 OUTLIER -77.16 -37.39 53.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -66.48 -22.1 66.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 110.287 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.6 mttt -92.76 -40.87 10.44 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.702 HG23 ' O ' ' A' ' 44' ' ' GLU . 93.9 t -73.76 -30.44 28.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.426 ' CB ' ' O ' ' A' ' 45' ' ' LEU . . . -63.26 -46.72 85.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 109.339 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 1.8 mtt -56.36 -20.12 17.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 110.993 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -98.16 -24.99 15.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 110.309 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.419 ' HB3' ' CE1' ' A' ' 53' ' ' TYR . 2.5 t0 -75.69 -35.89 60.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.647 ' CD2' ' CD2' ' A' ' 59' ' ' PHE . 1.9 m-85 -113.3 25.58 11.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 110.972 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 16.8 tttt -46.98 -48.11 21.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.322 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -113.21 79.41 1.23 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 0.0 109.262 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.521 ' O ' HG22 ' A' ' 60' ' ' THR . 1.4 t-20 -133.21 119.77 15.71 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.29 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.543 ' C ' HG23 ' A' ' 60' ' ' THR . 18.2 Cg_endo -74.98 -14.25 21.24 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.506 1.793 . . . . 0.0 111.0 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -98.39 -42.43 7.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 109.315 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.647 ' CD2' ' CD2' ' A' ' 53' ' ' TYR . 0.2 OUTLIER -87.44 34.39 0.7 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.477 1.11 . . . . 0.0 110.992 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.543 HG23 ' C ' ' A' ' 57' ' ' PRO . 64.4 p -71.86 -16.4 62.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 110.405 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.516 ' CZ ' HD12 ' A' ' 34' ' ' LEU . 41.1 p90 -65.24 -17.94 64.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.999 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.568 HD11 HD11 ' A' ' 34' ' ' LEU . 0.9 OUTLIER -50.96 -71.21 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.411 ' CD2' ' H ' ' A' ' 63' ' ' HIS . 7.3 m-70 -43.83 -68.12 0.22 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 109.604 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -39.86 127.67 2.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.245 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.599 ' HA ' ' CD2' ' A' ' 70' ' ' PHE . 6.7 mttt -121.51 39.03 3.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.334 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.589 ' HA ' HD21 ' A' ' 71' ' ' LEU . 0.9 OUTLIER 172.46 50.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 109.282 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.431 ' O ' ' HB3' ' A' ' 68' ' ' ARG . 1.3 t -106.31 -72.28 0.72 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.981 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.498 ' HG2' ' N ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER 173.41 -30.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 110.304 -179.941 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.498 ' N ' ' HG2' ' A' ' 68' ' ' ARG . 1.2 mp0 -88.66 -38.98 14.37 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.466 1.104 . . . . 0.0 110.295 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.599 ' CD2' ' HA ' ' A' ' 65' ' ' LYS . 93.1 t80 -64.32 -41.01 97.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 111.004 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.692 HD22 ' H ' ' A' ' 71' ' ' LEU . 1.7 mm? -67.63 -40.81 84.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.607 ' CA ' HG21 ' A' ' 19' ' ' VAL . 78.3 t80 -62.89 -37.53 87.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 110.955 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.666 ' O ' HG23 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -60.71 -20.0 60.09 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.966 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 7.4 mtm180 -92.92 -12.98 29.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.309 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.426 ' NH1' ' HB ' ' A' ' 17' ' ' ILE . 25.9 mmt180 -78.19 -75.87 0.21 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.557 1.161 . . . . 0.0 110.338 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.731 ' HD3' HD11 ' A' ' 15' ' ' LEU . 0.4 OUTLIER -46.82 -32.53 3.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.283 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.666 HG23 ' O ' ' A' ' 73' ' ' TYR . 1.2 t -44.66 -53.77 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.138 . . . . 0.0 109.293 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -52.47 -34.09 47.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 76' ' ' LYS . 1.4 tm-20 -66.31 -62.74 1.31 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 110.28 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.764 HD12 ' HB3' ' A' ' 39' ' ' ALA . 0.0 OUTLIER -59.04 -34.19 52.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.309 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.421 ' HG2' ' CB ' ' A' ' 39' ' ' ALA . 9.2 mmm180 -49.27 -61.35 2.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.487 1.117 . . . . 0.0 110.276 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.504 ' C ' ' CD ' ' A' ' 82' ' ' LYS . 0.1 OUTLIER -40.12 154.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.421 ' N ' ' HG2' ' A' ' 82' ' ' LYS . 8.4 t -153.61 105.7 2.84 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.493 1.12 . . . . 0.0 109.994 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -87.8 -116.78 1.23 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.461 1.101 . . . . 0.0 110.977 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -83.44 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.49 1.784 . . . . 0.0 111.014 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 174.73 115.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.007 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 9.3 p 67.93 108.32 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 110.006 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 O-C-N 124.498 1.124 . . . . 0.0 111.011 -179.962 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -163.74 -57.99 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 0.783 . . . . 0.0 109.977 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -93.19 146.25 23.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 110.011 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 135.66 -107.29 0.62 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.477 1.11 . . . . 0.0 111.005 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 m -54.92 170.43 0.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 0.767 . . . . 0.0 109.969 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.4 m -67.41 124.19 22.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.96 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -153.95 -62.05 0.01 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.448 1.093 . . . . 0.0 110.997 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 39.9 37.28 0.34 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 0.798 . . . . 0.0 110.291 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.453 ' HA ' ' CD2' ' A' ' 11' ' ' TYR . 0.4 OUTLIER -43.75 -26.56 0.26 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.272 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.425 ' O ' ' N ' ' A' ' 13' ' ' GLN . 12.0 m-20 -48.84 -24.01 1.29 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.449 1.093 . . . . 0.0 109.289 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.573 ' CE2' ' HG3' ' A' ' 82' ' ' LYS . 2.8 p90 -50.43 -23.55 2.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 110.972 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.524 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 0.4 OUTLIER -95.54 -19.32 19.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 110.343 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.425 ' N ' ' O ' ' A' ' 10' ' ' ASP . 0.2 OUTLIER -63.8 -12.47 35.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 110.263 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.475 ' HA ' ' CD1' ' A' ' 17' ' ' ILE . 32.6 m95 -82.38 -11.38 58.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 0.0 108.035 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.538 ' CD2' ' HG2' ' A' ' 76' ' ' LYS . 40.0 mt -75.25 -32.99 61.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 109.312 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -55.68 -34.33 64.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 110.278 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.641 ' H ' HD12 ' A' ' 17' ' ' ILE . 0.2 OUTLIER -113.52 97.35 5.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 179.951 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.9 160.51 28.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.695 HG11 ' HB2' ' A' ' 71' ' ' LEU . 97.9 t -87.29 122.92 39.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.296 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.513 ' CB ' ' HA ' ' A' ' 21' ' ' PRO . 0.6 OUTLIER -77.29 161.3 73.28 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.014 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.513 ' HA ' ' CB ' ' A' ' 20' ' ' SER . 18.3 Cg_endo -74.99 174.14 54.22 Favored 'Cis proline' 0 C--N 1.359 1.128 0 C-N-CA 121.016 -2.493 . . . . 0.0 111.018 -0.019 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 4.01 5.1 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.467 1.772 . . . . 0.0 111.0 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -69.94 -23.78 63.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 110.332 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.432 ' O ' ' N ' ' A' ' 28' ' ' ARG . . . -59.38 -14.58 27.68 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.492 1.12 . . . . 0.0 110.978 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -44.04 -34.63 1.81 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 0.775 . . . . 0.0 109.301 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -85.14 -61.26 1.81 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.431 1.082 . . . . 0.0 110.295 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.751 ' O ' HG12 ' A' ' 30' ' ' VAL . 3.4 m -49.92 -21.65 1.25 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.428 1.08 . . . . 0.0 110.399 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.432 ' N ' ' O ' ' A' ' 24' ' ' GLY . 5.9 tmm_? -49.9 -24.08 2.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.103 . . . . 0.0 110.329 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 44.7 mtp180 -74.43 -28.55 61.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.296 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.751 HG12 ' O ' ' A' ' 27' ' ' THR . 8.4 p -95.33 -26.48 4.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.356 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.675 HG23 ' HB2' ' A' ' 73' ' ' TYR . 58.9 mt -74.53 -64.4 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.567 1.167 . . . . 0.0 109.306 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.432 ' O ' ' N ' ' A' ' 36' ' ' ARG . 7.7 mm-40 -38.18 -36.84 0.24 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.327 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.476 ' O ' ' N ' ' A' ' 37' ' ' PHE . 0.1 OUTLIER -50.09 -52.7 32.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.322 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.545 HD22 ' HE2' ' A' ' 59' ' ' PHE . 17.4 tp -60.38 -35.82 76.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.45 ' HA ' HG22 ' A' ' 77' ' ' VAL . . . -71.42 -27.94 63.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.499 ' O ' ' CG ' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -89.02 -26.33 21.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 0.0 110.294 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.476 ' N ' ' O ' ' A' ' 33' ' ' LYS . 44.7 t80 -83.22 -45.38 13.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.123 . . . . 0.0 111.032 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.668 HG21 ' OH ' ' A' ' 73' ' ' TYR . 11.3 t -67.91 -72.63 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.621 ' HB3' HD12 ' A' ' 80' ' ' ILE . . . -40.1 -32.36 0.17 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 109.336 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.499 ' CG ' ' O ' ' A' ' 36' ' ' ARG . 2.7 mm-40 -55.25 -64.87 0.7 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.097 . . . . 0.0 110.294 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -85.17 -58.1 2.14 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.449 1.093 . . . . 0.0 111.051 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 147.22 -142.74 10.54 Favored Glycine 0 CA--C 1.53 0.981 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -26.23 11.25 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.476 1.777 . . . . 0.0 111.055 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.871 ' O ' HG23 ' A' ' 48' ' ' VAL . 6.9 tt0 -57.9 -31.51 66.83 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.526 1.141 . . . . 0.0 110.27 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.569 ' CD2' ' N ' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -75.63 -35.85 60.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 109.287 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -67.27 -34.46 77.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.096 . . . . 0.0 110.281 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.5 mttt -77.96 -34.03 51.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.871 HG23 ' O ' ' A' ' 44' ' ' GLU . 78.5 t -80.43 -28.93 11.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.538 1.149 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.43 ' N ' ' O ' ' A' ' 45' ' ' LEU . . . -62.28 -46.08 90.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.568 1.168 . . . . 0.0 109.334 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.91 -19.44 12.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 111.013 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -97.61 -40.04 8.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 110.313 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.523 ' HB3' ' CD1' ' A' ' 53' ' ' TYR . 5.1 t70 -61.33 -43.24 99.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.267 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.561 ' N ' ' CD1' ' A' ' 53' ' ' TYR . 0.8 OUTLIER -109.53 30.02 7.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 111.02 -179.946 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 29.1 tttt -49.52 -25.34 2.61 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.472 1.108 . . . . 0.0 109.324 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -131.74 84.96 2.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.597 ' O ' HG22 ' A' ' 60' ' ' THR . 0.5 OUTLIER -135.09 119.19 13.34 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 109.306 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.508 ' C ' HG23 ' A' ' 60' ' ' THR . 18.1 Cg_endo -75.04 -16.43 20.13 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.462 1.77 . . . . 0.0 110.997 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -99.83 -43.63 6.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.567 ' HE1' HG22 ' A' ' 30' ' ' VAL . 0.2 OUTLIER -86.91 34.47 0.67 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 111.002 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.597 HG22 ' O ' ' A' ' 56' ' ' ASN . 68.3 p -69.36 -11.9 61.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.11 . . . . 0.0 110.422 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.534 ' CE1' ' HA ' ' A' ' 59' ' ' PHE . 44.5 p90 -72.82 -17.83 61.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.963 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.499 ' HA ' HD12 ' A' ' 62' ' ' LEU . 1.4 tp -51.41 -71.36 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.424 ' CD2' ' H ' ' A' ' 63' ' ' HIS . 4.5 m-70 -55.23 -66.06 0.48 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.155 . . . . 0.0 109.625 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -64.97 91.63 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.57 ' HG3' ' CZ ' ' A' ' 70' ' ' PHE . 0.1 OUTLIER -58.72 -58.59 7.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.292 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 16.5 m-80 -73.74 63.39 0.86 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.559 1.162 . . . . 0.0 109.302 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.406 ' O ' ' HB3' ' A' ' 68' ' ' ARG . 34.9 t -108.42 -79.72 0.58 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 110.043 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.475 ' HG2' ' N ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER 174.33 -30.62 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 110.245 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.475 ' N ' ' HG2' ' A' ' 68' ' ' ARG . 0.2 OUTLIER -87.94 -42.57 12.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.291 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.57 ' CZ ' ' HG3' ' A' ' 65' ' ' LYS . 79.6 t80 -52.54 -43.75 65.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 110.983 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.731 ' N ' HD13 ' A' ' 71' ' ' LEU . 0.1 OUTLIER -64.04 -60.16 3.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.429 ' HD2' HG21 ' A' ' 31' ' ' ILE . 49.6 t80 -50.56 -25.51 4.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 111.003 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.675 ' HB2' HG23 ' A' ' 31' ' ' ILE . 0.5 OUTLIER -81.74 -48.5 11.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 110.984 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.66 -18.97 65.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 110.245 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.608 ' HG3' HG23 ' A' ' 19' ' ' VAL . 69.7 mmt-85 -67.75 -76.72 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 110.27 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.538 ' HG2' ' CD2' ' A' ' 15' ' ' LEU . 0.3 OUTLIER -53.58 -25.39 17.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.501 HG23 ' O ' ' A' ' 73' ' ' TYR . 0.9 OUTLIER -48.19 -36.69 6.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 0.0 109.298 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -74.42 -31.0 62.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.466 ' N ' ' O ' ' A' ' 76' ' ' LYS . 15.8 tp10 -71.08 -51.49 24.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.246 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.621 HD12 ' HB3' ' A' ' 39' ' ' ALA . 0.0 OUTLIER -68.24 -39.31 80.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.15 . . . . 0.0 109.292 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 5.2 mmm180 -39.01 -59.1 1.02 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.312 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.573 ' HG3' ' CE2' ' A' ' 11' ' ' TYR . 0.4 OUTLIER -41.85 -71.68 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.512 ' CB ' ' O ' ' A' ' 82' ' ' LYS . 0.9 OUTLIER 87.01 -44.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.979 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 109.62 -82.75 0.31 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.49 1.119 . . . . 0.0 110.988 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 164.01 34.14 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.485 1.782 . . . . 0.0 110.981 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.66 158.46 2.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.024 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 72.9 p -114.71 140.12 49.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 110.046 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.484 1.115 . . . . 0.0 111.004 -179.983 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 N-CA-C 111.031 -0.827 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.8 m -67.72 152.68 45.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.548 0.793 . . . . 0.0 110.051 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -104.14 97.39 7.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 109.981 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 88.38 172.42 46.85 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.51 1.131 . . . . 0.0 110.982 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -128.92 107.14 9.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 0.772 . . . . 0.0 110.012 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.11 136.21 49.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.002 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 147.57 -147.11 17.55 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.5 1.125 . . . . 0.0 111.002 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -112.23 68.68 0.67 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 0.77 . . . . 0.0 110.275 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.41 ' C ' ' N ' ' A' ' 11' ' ' TYR . 15.2 tt0 -39.88 -32.07 0.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 110.346 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.454 ' O ' ' N ' ' A' ' 13' ' ' GLN . 31.7 m-20 -45.2 -27.7 0.66 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.329 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.546 ' CD1' ' C ' ' A' ' 11' ' ' TYR . 2.3 p90 -47.63 -23.44 0.67 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.986 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.473 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 9.6 pt-20 -97.14 -25.16 15.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.291 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.454 ' N ' ' O ' ' A' ' 10' ' ' ASP . 0.1 OUTLIER -61.51 -13.86 24.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.103 . . . . 0.0 110.275 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 27.1 m95 -83.86 -36.77 23.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 108.009 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.624 HD11 ' HD3' ' A' ' 76' ' ' LYS . 0.5 OUTLIER -52.67 -36.94 57.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -59.2 -19.53 46.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 110.255 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -113.2 93.93 2.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 109.344 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.41 156.02 28.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.118 . . . . 0.0 109.313 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.514 HG11 ' N ' ' A' ' 72' ' ' TYR . 0.9 OUTLIER -88.54 157.14 3.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.11 . . . . 0.0 109.252 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.499 ' HA ' ' C ' ' A' ' 21' ' ' PRO . 0.0 OUTLIER -101.3 152.84 38.04 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.556 1.16 . . . . 0.0 110.029 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.499 ' C ' ' HA ' ' A' ' 20' ' ' SER . 18.3 Cg_endo -75.09 174.37 53.08 Favored 'Cis proline' 0 C--N 1.36 1.144 0 C-N-CA 120.973 -2.511 . . . . 0.0 110.998 0.076 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 4.6 4.63 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.499 1.789 . . . . 0.0 110.966 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -75.38 -25.01 57.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 110.289 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -65.35 -12.86 57.04 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.519 1.137 . . . . 0.0 110.983 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.467 ' O ' ' CG ' ' A' ' 28' ' ' ARG . . . -45.31 -74.58 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.525 0.779 . . . . 0.0 109.285 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -46.97 -43.81 19.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.34 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.639 HG21 ' CD ' ' A' ' 69' ' ' GLU . 1.6 m -51.53 -24.51 5.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.155 . . . . 0.0 110.395 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.467 ' CG ' ' O ' ' A' ' 25' ' ' ALA . 0.3 OUTLIER -44.39 -25.66 0.27 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 110.261 -179.942 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.405 ' N ' ' C ' ' A' ' 27' ' ' THR . 29.1 mtm180 -66.96 -42.3 85.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 110.348 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.565 HG12 HG22 ' A' ' 27' ' ' THR . 1.9 p -82.6 -32.12 10.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.325 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.659 HG21 ' HD2' ' A' ' 72' ' ' TYR . 65.9 mt -67.23 -58.16 7.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -43.74 -36.43 2.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 110.283 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.4 tptt -50.67 -53.19 33.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.449 1.093 . . . . 0.0 109.305 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 1.103 HD11 HD21 ' A' ' 62' ' ' LEU . 0.4 OUTLIER -61.94 -46.08 90.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.32 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.592 ' CB ' HG12 ' A' ' 77' ' ' VAL . . . -52.42 -51.2 60.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 109.322 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.415 ' O ' ' CB ' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -64.72 -15.85 62.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 110.284 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.549 ' O ' HD12 ' A' ' 45' ' ' LEU . 11.8 t80 -95.12 -24.05 17.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.987 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.951 HG21 ' OH ' ' A' ' 73' ' ' TYR . 25.6 t -91.33 -76.58 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.725 ' HB3' HD12 ' A' ' 80' ' ' ILE . . . -40.7 -28.87 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.446 ' N ' ' C ' ' A' ' 38' ' ' VAL . 2.7 tt0 -65.38 -62.11 1.72 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 110.335 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -85.85 -58.34 2.03 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.493 1.121 . . . . 0.0 110.994 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 38' ' ' VAL . . . 147.8 -144.47 12.46 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 110.984 -0.847 . . . . 0.0 110.984 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -33.65 4.37 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.508 1.793 . . . . 0.0 110.958 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.52 ' O ' HG23 ' A' ' 48' ' ' VAL . 0.2 OUTLIER -48.58 -35.95 14.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 110.313 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.549 HD12 ' O ' ' A' ' 37' ' ' PHE . 0.1 OUTLIER -71.18 -59.29 2.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.297 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -40.21 -29.79 0.08 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.098 . . . . 0.0 110.314 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.421 ' N ' ' C ' ' A' ' 45' ' ' LEU . 0.2 OUTLIER -84.04 -51.8 6.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.263 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.52 HG23 ' O ' ' A' ' 44' ' ' GLU . 47.8 t -56.78 -40.35 70.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -48.54 -49.97 34.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 109.277 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 11.8 mtt -58.44 -17.1 18.16 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.549 1.156 . . . . 0.0 111.037 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -96.93 -49.82 4.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.305 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -53.92 -32.7 54.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.338 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -121.11 30.77 6.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 0.0 111.047 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.1 tptp -46.95 -43.93 19.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -109.51 76.09 0.98 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.268 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.695 ' O ' HG22 ' A' ' 60' ' ' THR . 1.4 t-20 -133.09 119.22 15.55 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.523 ' C ' HG23 ' A' ' 60' ' ' THR . 18.3 Cg_endo -75.0 -14.33 21.15 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.499 1.789 . . . . 0.0 111.037 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -98.33 -45.03 6.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.266 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.504 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 0.5 OUTLIER -86.45 37.11 0.72 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 111.037 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.695 HG22 ' O ' ' A' ' 56' ' ' ASN . 64.0 p -76.06 -12.3 60.1 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.445 1.091 . . . . 0.0 110.349 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.504 ' CE1' ' HA ' ' A' ' 59' ' ' PHE . 48.4 p90 -67.23 -33.53 75.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 111.02 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 1.103 HD21 HD11 ' A' ' 34' ' ' LEU . 11.0 mt -45.97 -68.02 0.23 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 12.6 m-70 -51.51 -64.0 0.95 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.615 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -67.11 90.35 0.2 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 0.0 109.267 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.48 ' HG2' ' CZ ' ' A' ' 70' ' ' PHE . 31.7 mtpt -57.8 -25.15 60.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 109.284 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 38.8 p30 -110.07 60.67 0.6 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 109.306 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.425 ' O ' ' HB3' ' A' ' 68' ' ' ARG . 37.9 t -102.84 -77.56 0.56 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.502 1.126 . . . . 0.0 110.037 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.49 ' HG2' ' N ' ' A' ' 69' ' ' GLU . 0.1 OUTLIER 174.73 -29.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.297 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.639 ' CD ' HG21 ' A' ' 27' ' ' THR . 0.4 OUTLIER -92.13 -42.76 9.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.315 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.48 ' CZ ' ' HG2' ' A' ' 65' ' ' LYS . 63.7 t80 -57.26 -25.21 58.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.537 1.148 . . . . 0.0 110.955 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.424 ' C ' HG11 ' A' ' 19' ' ' VAL . 19.1 mt -73.59 -60.85 2.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 109.332 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.659 ' HD2' HG21 ' A' ' 31' ' ' ILE . 78.5 t80 -57.7 -26.23 61.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 111.012 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 1.038 ' O ' HG13 ' A' ' 77' ' ' VAL . 2.6 t80 -60.09 -60.09 4.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 110.99 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.467 ' HG2' ' CE2' ' A' ' 73' ' ' TYR . 9.6 mmm-85 -63.47 -14.26 48.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 110.301 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.494 ' O ' ' CD1' ' A' ' 15' ' ' LEU . 11.3 mmt180 -86.99 -25.59 24.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 110.342 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.624 ' HD3' HD11 ' A' ' 15' ' ' LEU . 0.5 OUTLIER -91.69 -41.44 10.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.294 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 1.038 HG13 ' O ' ' A' ' 73' ' ' TYR . 4.3 m -46.93 -50.72 5.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 109.29 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.479 ' N ' HG23 ' A' ' 77' ' ' VAL . . . -48.76 -27.86 3.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.125 . . . . 0.0 109.347 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.541 ' HG2' HD22 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -70.22 -58.06 4.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.314 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.725 HD12 ' HB3' ' A' ' 39' ' ' ALA . 0.0 OUTLIER -67.21 -34.3 68.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.453 ' HG2' ' CB ' ' A' ' 39' ' ' ALA . 6.7 mmm180 -43.32 -49.28 6.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 110.297 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.25 146.39 0.19 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -178.19 -58.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 109.984 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 174.35 -170.57 43.71 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.467 1.104 . . . . 0.0 111.017 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 61.94 5.76 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.494 1.786 . . . . 0.0 111.016 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 56.04 96.82 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.562 1.164 . . . . 0.0 109.968 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.6 m -102.14 -60.88 1.46 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.553 1.158 . . . . 0.0 109.994 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.466 1.104 . . . . 0.0 110.961 -179.988 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.0 m -86.89 146.31 26.23 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.553 0.796 . . . . 0.0 109.999 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.8 p -86.82 97.75 10.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.035 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 146.27 54.11 0.02 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.539 1.149 . . . . 0.0 110.996 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.9 m -117.64 95.89 5.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 0.753 . . . . 0.0 110.008 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 98.1 p -69.84 100.19 1.5 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.99 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 104.76 -168.85 16.34 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.489 1.118 . . . . 0.0 111.028 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -144.01 97.09 3.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 0.74 . . . . 0.0 110.301 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -45.97 -25.23 0.52 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.272 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.459 ' O ' ' N ' ' A' ' 13' ' ' GLN . 11.2 m-20 -42.6 -32.74 0.6 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.572 ' CD1' ' C ' ' A' ' 11' ' ' TYR . 1.8 p90 -47.37 -23.23 0.55 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 110.991 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.774 ' OE1' HD12 ' A' ' 15' ' ' LEU . 16.8 tp10 -96.96 -26.41 15.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.257 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.459 ' N ' ' O ' ' A' ' 10' ' ' ASP . 1.5 pt20 -63.24 -12.09 26.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.318 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 29.3 m95 -88.33 -20.93 24.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 108.036 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.774 HD12 ' OE1' ' A' ' 12' ' ' GLU . 24.3 mt -69.9 -26.1 64.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -64.11 -36.17 83.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.282 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -101.73 94.68 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 27.8 mmtm -83.71 158.62 21.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.317 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.501 HG11 ' N ' ' A' ' 72' ' ' TYR . 0.8 OUTLIER -88.49 156.77 3.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.263 -179.945 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.505 ' HA ' ' C ' ' A' ' 21' ' ' PRO . 6.3 m -103.04 154.98 37.18 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.431 1.082 . . . . 0.0 110.0 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.505 ' C ' ' HA ' ' A' ' 20' ' ' SER . 18.2 Cg_endo -75.0 174.57 52.04 Favored 'Cis proline' 0 C--N 1.36 1.141 0 C-N-CA 120.995 -2.502 . . . . 0.0 110.99 0.013 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 4.04 5.1 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.482 1.78 . . . . 0.0 110.981 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -69.61 -26.93 64.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 110.353 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -56.11 -16.97 15.4 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.523 1.139 . . . . 0.0 111.025 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -48.16 -38.77 18.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 0.77 . . . . 0.0 109.348 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -76.37 -54.0 7.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 110.292 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.851 HG22 HG12 ' A' ' 30' ' ' VAL . 1.4 m -56.2 -18.48 10.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 110.422 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.493 ' C ' ' CD ' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -42.69 -26.74 0.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 110.286 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.409 ' N ' ' C ' ' A' ' 27' ' ' THR . 1.5 mtp180 -69.59 -49.74 51.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 110.32 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.851 HG12 HG22 ' A' ' 27' ' ' THR . 1.4 p -76.03 -30.63 20.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.29 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.728 HG23 ' HB2' ' A' ' 73' ' ' TYR . 68.5 mt -65.04 -51.93 60.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.115 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -67.62 -24.82 65.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.249 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.0 tptp -59.05 -35.19 72.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.34 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.599 HD11 HD21 ' A' ' 62' ' ' LEU . 0.3 OUTLIER -76.68 -58.48 3.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 109.326 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.448 ' HB1' HG21 ' A' ' 80' ' ' ILE . . . -47.07 -50.08 20.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.341 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.478 ' HA ' ' CD1' ' A' ' 80' ' ' ILE . 0.0 OUTLIER -56.87 -25.29 56.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.307 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.464 ' O ' HD12 ' A' ' 45' ' ' LEU . 14.0 t80 -93.72 -30.02 15.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 110.995 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.595 HG23 HD22 ' A' ' 34' ' ' LEU . 25.4 t -81.0 -75.87 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.453 ' CB ' ' HG2' ' A' ' 81' ' ' ARG . . . -40.13 -30.2 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.44 ' N ' ' C ' ' A' ' 38' ' ' VAL . 1.7 tt0 -64.03 -64.36 0.91 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 110.312 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -78.4 -58.72 3.05 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.503 1.127 . . . . 0.0 111.055 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 145.11 -144.08 12.68 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -36.41 2.58 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.542 1.811 . . . . 0.0 111.003 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -48.59 -31.45 6.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 110.281 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.539 ' CD2' ' N ' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -72.46 -62.78 1.32 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 109.295 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.1 tm-20 -39.6 -29.94 0.06 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.112 . . . . 0.0 110.297 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.409 ' N ' ' O ' ' A' ' 45' ' ' LEU . 2.0 mttt -80.48 -57.96 3.34 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.542 1.151 . . . . 0.0 109.308 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 40.2 t -54.77 -38.37 43.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.273 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.465 ' O ' ' CD2' ' A' ' 53' ' ' TYR . . . -53.63 -54.47 37.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.441 ' HA ' HD13 ' A' ' 62' ' ' LEU . 1.8 mtt -55.28 -17.54 4.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 111.046 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -98.21 -36.83 9.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.295 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -64.8 -25.41 67.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.568 1.168 . . . . 0.0 109.255 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.585 ' CD2' ' CD2' ' A' ' 59' ' ' PHE . 5.0 m-85 -125.61 29.62 5.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 0.0 111.004 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.4 ttmt -47.92 -28.61 2.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.311 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 -130.65 76.32 1.71 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.519 1.137 . . . . 0.0 109.27 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.487 ' O ' HG22 ' A' ' 60' ' ' THR . 2.6 t-20 -135.41 120.24 13.54 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.266 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.547 ' C ' HG23 ' A' ' 60' ' ' THR . 18.1 Cg_endo -75.05 -8.45 20.03 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.512 1.796 . . . . 0.0 110.984 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -99.61 -43.72 6.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.585 ' CD2' ' CD2' ' A' ' 53' ' ' TYR . 0.2 OUTLIER -88.23 33.65 0.74 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 111.012 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.547 HG23 ' C ' ' A' ' 57' ' ' PRO . 58.2 p -72.78 -12.58 61.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 110.382 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.593 ' CZ ' HD12 ' A' ' 34' ' ' LEU . 43.3 p90 -69.67 -33.67 72.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 111.013 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.599 HD21 HD11 ' A' ' 34' ' ' LEU . 6.5 mt -43.7 -68.49 0.19 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 109.337 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -69.27 68.29 0.2 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 109.584 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.424 ' N ' ' O ' ' A' ' 62' ' ' LEU . 2.0 t0 172.39 115.82 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.571 ' HA ' ' CD1' ' A' ' 70' ' ' PHE . 0.2 OUTLIER -79.06 -74.68 0.27 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.514 1.134 . . . . 0.0 109.248 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 26.2 p30 -77.77 73.69 4.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.323 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 11.2 t -116.24 -76.46 0.57 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.991 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.426 ' O ' HG21 ' A' ' 19' ' ' VAL . 0.0 OUTLIER 170.71 -32.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.293 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -94.13 -39.27 10.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.437 1.086 . . . . 0.0 110.336 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.571 ' CD1' ' HA ' ' A' ' 65' ' ' LYS . 41.0 t80 -65.44 -16.91 64.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.467 1.104 . . . . 0.0 111.006 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 11.9 mt -85.29 -65.6 0.99 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.569 ' HD2' HG21 ' A' ' 31' ' ' ILE . 67.5 t80 -51.86 -23.06 4.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 110.968 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.967 ' O ' HG23 ' A' ' 77' ' ' VAL . 1.7 t80 -76.09 -32.33 59.17 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.482 1.114 . . . . 0.0 110.986 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.91 -20.42 27.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 110.331 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 21.6 mmt180 -74.17 -32.78 63.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 110.306 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.547 ' HG2' ' CD2' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -93.36 -22.23 19.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.098 . . . . 0.0 109.261 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.967 HG23 ' O ' ' A' ' 73' ' ' TYR . 1.9 t -48.75 -33.51 5.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -76.07 -31.26 58.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.157 . . . . 0.0 109.301 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.597 ' HG3' HD11 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -70.23 -49.07 53.85 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.504 1.128 . . . . 0.0 110.311 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.478 ' CD1' ' HA ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -72.37 -35.48 52.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.459 ' CG ' ' O ' ' A' ' 77' ' ' VAL . 7.1 mmm-85 -48.23 -55.72 9.78 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 110.276 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.449 ' HD3' ' CD2' ' A' ' 11' ' ' TYR . 0.5 OUTLIER -40.46 -66.6 0.3 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.258 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -128.68 108.71 10.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.004 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -141.91 73.44 0.37 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.442 1.089 . . . . 0.0 110.97 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -22.79 14.53 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.446 1.761 . . . . 0.0 111.024 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 71.19 164.68 0.28 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.985 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 31.4 t -75.16 142.03 43.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.96 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.478 1.111 . . . . 0.0 110.985 179.964 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 m -157.92 83.82 0.87 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 0.753 . . . . 0.0 109.971 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.4 p -161.86 131.3 4.56 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.551 1.157 . . . . 0.0 109.991 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -125.54 161.96 19.89 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.487 1.117 . . . . 0.0 110.968 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.96 120.35 0.16 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 0.786 . . . . 0.0 110.022 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.8 p -88.38 116.1 26.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.958 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 60.82 101.58 0.01 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.483 1.114 . . . . 0.0 110.978 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -153.51 148.95 27.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.534 0.784 . . . . 0.0 110.27 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.438 ' HA ' ' CD2' ' A' ' 11' ' ' TYR . 4.7 mt-10 -51.85 -20.55 2.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.286 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.44 ' O ' ' N ' ' A' ' 13' ' ' GLN . 27.3 m-20 -57.78 -17.26 14.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.563 ' CE2' ' CB ' ' A' ' 82' ' ' LYS . 3.2 p90 -49.38 -23.79 1.63 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 111.002 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.487 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 1.8 pt-20 -94.09 -22.68 18.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.356 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.44 ' N ' ' O ' ' A' ' 10' ' ' ASP . 0.2 OUTLIER -60.54 -14.11 17.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.324 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.641 ' O ' HD12 ' A' ' 17' ' ' ILE . 27.9 m95 -79.89 -27.73 39.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 108.01 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.723 HD11 ' HD3' ' A' ' 76' ' ' LYS . 5.2 mt -62.81 -16.16 57.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -68.13 -32.77 73.29 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.465 1.103 . . . . 0.0 110.265 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.645 ' H ' HD12 ' A' ' 17' ' ' ILE . 0.1 OUTLIER -110.52 92.32 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.34 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.84 168.78 0.85 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.271 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.797 HG21 ' HB2' ' A' ' 72' ' ' TYR . 14.1 m -86.62 160.52 3.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 109.314 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.514 ' HA ' ' C ' ' A' ' 21' ' ' PRO . 0.8 OUTLIER -128.19 151.45 76.22 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.549 1.156 . . . . 0.0 110.006 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.514 ' C ' ' HA ' ' A' ' 20' ' ' SER . 18.5 Cg_endo -74.94 174.51 52.25 Favored 'Cis proline' 0 C--N 1.36 1.177 0 C-N-CA 120.967 -2.514 . . . . 0.0 111.027 -0.065 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 4.21 4.95 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.489 1.784 . . . . 0.0 111.002 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -75.7 -18.33 59.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 110.276 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -82.29 -12.62 80.38 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.483 1.114 . . . . 0.0 111.017 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.426 ' O ' ' CG ' ' A' ' 28' ' ' ARG . . . -56.43 -18.53 11.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 0.782 . . . . 0.0 109.305 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -73.68 -35.15 65.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.445 1.091 . . . . 0.0 110.279 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.709 HG22 HG12 ' A' ' 30' ' ' VAL . 1.6 m -88.94 -25.93 21.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 110.351 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.575 ' HB2' ' CE2' ' A' ' 72' ' ' TYR . 0.0 OUTLIER -38.91 -29.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.296 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 27' ' ' THR . 61.7 mtp180 -68.63 -55.74 10.51 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.538 1.149 . . . . 0.0 110.301 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.709 HG12 HG22 ' A' ' 27' ' ' THR . 1.4 p -63.19 -32.35 56.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.566 1.167 . . . . 0.0 109.344 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.46 ' CG2' ' HA ' ' A' ' 73' ' ' TYR . 5.5 mt -66.28 -45.41 89.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -41.61 -42.99 2.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.142 . . . . 0.0 110.37 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.46 ' O ' ' N ' ' A' ' 37' ' ' PHE . 7.0 mmmt -64.65 -43.16 94.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.334 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.857 HD11 HD21 ' A' ' 62' ' ' LEU . 0.8 OUTLIER -56.93 -52.0 66.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.81 -50.9 72.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 109.321 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.467 ' O ' ' CG ' ' A' ' 40' ' ' GLU . 68.6 ttt180 -61.41 -32.57 72.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.297 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.46 ' N ' ' O ' ' A' ' 33' ' ' LYS . 27.2 t80 -74.98 -46.16 37.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 111.022 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.426 HG12 ' N ' ' A' ' 39' ' ' ALA . 3.8 t -67.41 -70.72 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.1 . . . . 0.0 109.292 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.904 ' HB3' HD12 ' A' ' 80' ' ' ILE . . . -39.6 -37.96 0.56 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.432 1.083 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.467 ' CG ' ' O ' ' A' ' 36' ' ' ARG . 1.4 mm-40 -50.94 -66.29 0.41 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 110.289 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -84.53 -62.94 1.66 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.523 1.139 . . . . 0.0 111.0 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 152.29 -141.61 8.64 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -30.35 7.25 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.478 1.778 . . . . 0.0 110.988 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.45 ' O ' HG23 ' A' ' 48' ' ' VAL . 3.1 tt0 -54.97 -33.1 62.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.287 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.56 ' CD2' ' N ' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -71.11 -52.59 18.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.343 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.07 -27.98 9.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.277 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.24 -49.31 12.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.324 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 44' ' ' GLU . 53.9 t -60.5 -41.66 88.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -53.66 -49.54 67.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 3.1 mtt -47.43 -23.07 0.53 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 111.043 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -96.28 -33.81 11.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.311 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 36.0 t0 -66.66 -41.95 87.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.807 ' CD2' ' CD2' ' A' ' 59' ' ' PHE . 8.6 m-85 -109.34 28.97 7.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 111.012 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.4 ttmt -50.66 -55.2 17.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -110.85 77.74 1.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.329 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -135.32 119.82 13.42 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.551 ' C ' HG23 ' A' ' 60' ' ' THR . 18.2 Cg_endo -74.96 -3.3 13.72 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.503 1.791 . . . . 0.0 110.988 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -99.77 -46.43 5.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.807 ' CD2' ' CD2' ' A' ' 53' ' ' TYR . 0.7 OUTLIER -87.96 32.27 0.75 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 110.984 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.551 HG23 ' C ' ' A' ' 57' ' ' PRO . 74.6 p -68.59 -12.19 60.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.406 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.755 ' HZ ' HD12 ' A' ' 34' ' ' LEU . 46.2 p90 -70.64 -36.14 73.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.96 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.857 HD21 HD11 ' A' ' 34' ' ' LEU . 7.2 mt -39.61 -69.3 0.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 15.3 m-70 -42.67 -55.03 3.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.572 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -52.98 140.61 24.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.591 ' HA ' ' CD1' ' A' ' 70' ' ' PHE . 11.1 mtmt -138.75 42.8 2.13 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 171.68 41.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 109.279 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.3 t -110.14 -70.45 0.81 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 110.012 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.777 ' HA ' HD12 ' A' ' 71' ' ' LEU . 0.0 OUTLIER 174.79 -32.15 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.488 1.117 . . . . 0.0 110.315 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.487 ' N ' ' HG2' ' A' ' 68' ' ' ARG . 0.5 OUTLIER -79.66 -49.75 11.66 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 0.0 110.289 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.591 ' CD1' ' HA ' ' A' ' 65' ' ' LYS . 34.8 t80 -61.43 -17.35 53.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 111.007 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.777 HD12 ' HA ' ' A' ' 68' ' ' ARG . 18.2 mt -79.8 -54.94 5.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.438 1.086 . . . . 0.0 109.237 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.797 ' HB2' HG21 ' A' ' 19' ' ' VAL . 89.5 t80 -57.76 -37.15 73.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 110.97 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.773 ' O ' HG23 ' A' ' 77' ' ' VAL . 0.8 OUTLIER -54.1 -52.7 60.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 111.012 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.71 -20.55 59.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.304 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.544 ' NH2' ' O ' ' A' ' 17' ' ' ILE . 2.3 mmm180 -68.24 -77.47 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.281 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.723 ' HD3' HD11 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -49.13 -25.26 2.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.773 HG23 ' O ' ' A' ' 73' ' ' TYR . 1.2 t -51.34 -26.19 5.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -80.45 -30.82 37.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.355 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.493 ' HA ' ' CE1' ' A' ' 11' ' ' TYR . 35.7 tp10 -73.39 -55.6 6.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.269 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.904 HD12 ' HB3' ' A' ' 39' ' ' ALA . 0.0 OUTLIER -61.1 -40.11 84.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.406 ' CG ' ' O ' ' A' ' 77' ' ' VAL . 1.7 mmm180 -47.5 -68.52 0.18 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.116 . . . . 0.0 110.311 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.563 ' CB ' ' CE2' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -60.62 129.97 44.22 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.137 . . . . 0.0 109.301 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 41.4 t -179.38 -62.97 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.996 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 158.97 98.82 0.14 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.493 1.12 . . . . 0.0 111.033 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 175.23 11.51 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.524 1.802 . . . . 0.0 110.962 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -174.69 -56.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.018 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 24.8 t -151.29 127.93 10.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.155 . . . . 0.0 110.028 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 O-C-N 124.546 1.154 . . . . 0.0 110.986 -179.99 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.3 m 61.74 99.71 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.467 0.745 . . . . 0.0 109.993 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 m -167.3 118.88 0.9 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.953 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 132.12 -146.46 18.11 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.497 1.123 . . . . 0.0 110.981 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 m -90.4 168.14 12.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 0.739 . . . . 0.0 109.996 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.3 m -110.37 100.31 9.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.982 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.73 128.04 0.99 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.472 1.107 . . . . 0.0 111.012 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 10' ' ' ASP . 38.5 tt0 -174.68 146.53 0.98 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 0.75 . . . . 0.0 110.304 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.482 ' O ' ' CG ' ' A' ' 12' ' ' GLU . 34.1 mt-10 -38.46 -30.59 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.543 1.152 . . . . 0.0 110.298 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.484 ' O ' ' N ' ' A' ' 13' ' ' GLN . 24.2 m-20 -41.01 -52.81 3.1 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.453 1.096 . . . . 0.0 109.312 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.571 ' CE1' ' HB3' ' A' ' 12' ' ' GLU . 0.2 OUTLIER -38.46 -29.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 110.991 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.571 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 2.7 pt-20 -110.58 -23.05 11.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.329 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.484 ' N ' ' O ' ' A' ' 10' ' ' ASP . 0.3 OUTLIER -73.19 -16.52 61.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.311 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 21.5 m95 -81.03 -8.76 59.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.155 . . . . 0.0 108.003 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.723 HD11 ' HG3' ' A' ' 79' ' ' GLU . 34.4 mt -77.42 -24.06 50.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -67.8 -47.03 70.25 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 110.276 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.452 ' H ' HD12 ' A' ' 17' ' ' ILE . 0.2 OUTLIER -92.13 95.22 5.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.269 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.16 159.43 27.41 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.468 1.105 . . . . 0.0 109.328 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.582 HG11 ' C ' ' A' ' 71' ' ' LEU . 3.0 m -87.2 166.93 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.502 ' HA ' ' C ' ' A' ' 21' ' ' PRO . 59.1 m -112.37 150.8 43.12 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 0.0 110.052 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.502 ' C ' ' HA ' ' A' ' 20' ' ' SER . 18.4 Cg_endo -75.0 174.28 53.53 Favored 'Cis proline' 0 C--N 1.36 1.16 0 C-N-CA 121.0 -2.5 . . . . 0.0 111.036 0.014 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 4.41 4.78 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.506 1.793 . . . . 0.0 110.997 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 25' ' ' ALA . 3.1 tt0 -70.77 -39.79 73.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.344 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -38.43 -29.68 0.07 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.437 1.086 . . . . 0.0 111.003 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 23' ' ' GLU . . . -45.44 -39.79 7.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 0.765 . . . . 0.0 109.267 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -73.99 -48.13 32.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 110.283 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.459 ' O ' ' N ' ' A' ' 30' ' ' VAL . 92.6 m -63.67 -14.26 50.38 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.449 1.093 . . . . 0.0 110.386 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.452 ' O ' ' N ' ' A' ' 31' ' ' ILE . 0.3 OUTLIER -42.8 -56.02 3.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 110.266 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.432 ' N ' ' HD2' ' A' ' 28' ' ' ARG . 63.6 mtp180 -45.44 -26.29 0.54 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.255 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.459 ' N ' ' O ' ' A' ' 27' ' ' THR . 63.1 t -95.05 -32.89 4.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.541 HG23 ' HB2' ' A' ' 73' ' ' TYR . 45.2 mt -72.61 -67.76 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.336 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.435 ' OE2' ' NE ' ' A' ' 28' ' ' ARG . 21.4 mt-10 -41.84 -31.34 0.31 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.128 . . . . 0.0 110.28 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.5 tptt -59.94 -48.62 80.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 109.291 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.995 HD21 HD21 ' A' ' 62' ' ' LEU . 48.9 tp -68.08 -45.72 73.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.14 -41.97 69.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 13.3 ttt-85 -71.07 -17.82 62.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 110.293 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 29.0 t80 -94.07 -33.86 13.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.1 . . . . 0.0 111.006 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.939 HG11 ' OH ' ' A' ' 73' ' ' TYR . 6.1 t -81.2 -75.95 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.462 1.102 . . . . 0.0 109.274 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.874 ' HB3' HD12 ' A' ' 80' ' ' ILE . . . -39.85 -29.96 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 38' ' ' VAL . 0.5 OUTLIER -62.74 -65.43 0.69 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 110.324 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -75.8 -52.8 6.19 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.473 1.108 . . . . 0.0 110.977 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 141.66 -147.44 18.99 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -33.15 4.76 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.468 1.772 . . . . 0.0 110.971 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.614 ' O ' HG23 ' A' ' 48' ' ' VAL . 1.8 tt0 -50.24 -32.15 15.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 110.263 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.514 ' CD2' ' N ' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -72.2 -61.26 1.86 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.334 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -40.31 -32.95 0.21 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 110.318 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -78.64 -57.28 3.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.614 HG23 ' O ' ' A' ' 44' ' ' GLU . 67.9 t -52.98 -42.88 45.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.46 1.1 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -47.69 -53.0 16.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.408 ' CE ' ' O ' ' A' ' 62' ' ' LEU . 7.8 mtt -55.47 -17.54 5.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 111.0 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -99.41 -57.27 2.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 110.322 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.487 ' HB3' ' CE1' ' A' ' 53' ' ' TYR . 11.4 t0 -49.5 -38.46 30.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.246 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.546 ' N ' ' CD1' ' A' ' 53' ' ' TYR . 0.6 OUTLIER -109.16 32.95 4.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 111.018 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 53' ' ' TYR . 8.0 tttt -38.78 -30.98 0.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.437 ' N ' ' C ' ' A' ' 53' ' ' TYR . 4.5 m-20 -112.99 80.31 1.34 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.712 ' O ' HG22 ' A' ' 60' ' ' THR . 0.2 OUTLIER -107.99 120.41 47.06 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.09 . . . . 0.0 109.279 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.607 ' O ' HG23 ' A' ' 60' ' ' THR . 18.2 Cg_endo -75.02 -59.93 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.479 1.778 . . . . 0.0 110.954 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -96.81 -15.98 21.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.709 ' HE1' HD22 ' A' ' 34' ' ' LEU . 0.3 OUTLIER -88.37 28.18 1.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 111.024 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.712 HG22 ' O ' ' A' ' 56' ' ' ASN . 73.6 p -74.68 -12.43 60.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.437 1.086 . . . . 0.0 110.389 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.587 ' CE1' ' CD1' ' A' ' 59' ' ' PHE . 44.0 p90 -65.92 -13.39 59.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 111.021 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.995 HD21 HD21 ' A' ' 34' ' ' LEU . 9.3 mt -61.5 -59.54 5.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 8.8 p80 -73.89 -48.03 33.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.574 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -74.68 88.91 2.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.27 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.56 ' HD3' ' CZ ' ' A' ' 70' ' ' PHE . 1.0 OUTLIER -56.66 -54.16 49.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 27.3 m120 -83.49 65.3 8.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.133 . . . . 0.0 109.268 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.4 ' O ' ' HB3' ' A' ' 68' ' ' ARG . 8.0 t -108.47 -82.33 0.56 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 110.004 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.502 ' HG2' ' N ' ' A' ' 69' ' ' GLU . 0.1 OUTLIER 175.43 -30.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 110.315 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.502 ' N ' ' HG2' ' A' ' 68' ' ' ARG . 0.8 OUTLIER -92.46 -28.85 16.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 110.336 179.952 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.56 ' CZ ' ' HD3' ' A' ' 65' ' ' LYS . 87.6 t80 -63.8 -40.47 96.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 111.013 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.799 ' N ' HD13 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -61.67 -49.67 75.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 109.294 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.518 ' CD2' HD12 ' A' ' 31' ' ' ILE . 42.9 t80 -61.49 -37.13 82.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 110.96 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.939 ' OH ' HG11 ' A' ' 38' ' ' VAL . 1.6 t80 -62.4 -64.02 1.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 111.039 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.552 ' N ' ' CD2' ' A' ' 73' ' ' TYR . 0.0 OUTLIER -51.74 -28.56 15.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.26 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -64.61 -78.64 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 110.28 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.575 ' HG2' ' CD2' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -54.58 -23.43 16.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.517 HG21 ' CE1' ' A' ' 73' ' ' TYR . 1.0 OUTLIER -52.35 -24.03 5.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.513 ' HB1' ' HA ' ' A' ' 11' ' ' TYR . . . -80.35 -27.85 38.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.723 ' HG3' HD11 ' A' ' 15' ' ' LEU . 8.0 tm-20 -71.04 -38.64 72.55 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 110.313 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.874 HD12 ' HB3' ' A' ' 39' ' ' ALA . 0.0 OUTLIER -81.34 -34.21 13.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.314 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.514 ' HG2' ' HB1' ' A' ' 39' ' ' ALA . 16.1 mmm-85 -49.78 -53.09 27.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.318 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.64 -165.47 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.148 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 70.11 25.55 4.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.981 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 74.85 85.85 0.29 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.514 1.134 . . . . 0.0 111.041 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -166.68 0.36 Allowed 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.515 1.797 . . . . 0.0 110.99 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -154.97 124.28 6.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 110.012 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 5.7 t -159.49 -61.17 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.437 1.086 . . . . 0.0 110.02 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.475 1.109 . . . . 0.0 111.001 -179.991 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.5 p 46.42 92.91 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 0.776 . . . . 0.0 110.016 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -179.92 146.52 0.25 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.102 . . . . 0.0 109.989 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -124.68 147.38 16.5 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.455 1.097 . . . . 0.0 110.996 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -154.81 164.23 39.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 0.762 . . . . 0.0 110.045 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.8 m -101.2 133.39 45.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 110.021 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.6 63.18 1.07 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.474 1.108 . . . . 0.0 110.974 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.445 ' N ' ' OD1' ' A' ' 10' ' ' ASP . 1.1 tp10 -134.83 -74.82 0.46 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 0.76 . . . . 0.0 110.311 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.543 ' HA ' ' CE2' ' A' ' 11' ' ' TYR . 4.1 pt-20 -38.7 -30.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 110.284 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.445 ' OD1' ' N ' ' A' ' 8' ' ' GLU . 8.2 p-10 -42.85 -28.34 0.24 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.626 ' CZ ' ' CB ' ' A' ' 82' ' ' LYS . 3.0 p90 -51.13 -20.57 1.54 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.157 . . . . 0.0 110.966 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.534 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 0.3 OUTLIER -100.34 -18.68 16.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 110.326 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.445 ' O ' HD11 ' A' ' 17' ' ' ILE . 0.7 OUTLIER -64.84 -11.05 33.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.143 . . . . 0.0 110.296 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.823 ' O ' HD12 ' A' ' 17' ' ' ILE . 34.0 m95 -85.79 -37.99 18.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 107.975 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.906 HD11 ' HD3' ' A' ' 76' ' ' LYS . 1.1 tp -57.72 -42.39 83.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -44.34 -39.84 4.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 110.273 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.823 HD12 ' O ' ' A' ' 14' ' ' TRP . 0.5 OUTLIER -113.82 94.85 3.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.272 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 27.9 mmtm -62.58 174.04 1.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.303 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.524 HG11 ' CA ' ' A' ' 72' ' ' TYR . 0.9 OUTLIER -91.05 148.46 4.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.485 ' HA ' ' C ' ' A' ' 21' ' ' PRO . 0.4 OUTLIER -99.41 158.51 32.08 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.977 -179.956 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.485 ' C ' ' HA ' ' A' ' 20' ' ' SER . 18.5 Cg_endo -74.95 174.47 52.48 Favored 'Cis proline' 0 C--N 1.36 1.148 0 C-N-CA 121.029 -2.488 . . . . 0.0 111.006 -0.013 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 4.08 5.03 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.453 1.765 . . . . 0.0 110.996 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.14 -18.42 60.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 110.256 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.417 ' O ' ' N ' ' A' ' 28' ' ' ARG . . . -73.72 -12.31 80.71 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.554 1.159 . . . . 0.0 110.989 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.88 -17.93 11.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 0.785 . . . . 0.0 109.297 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -84.16 -30.49 25.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.1 . . . . 0.0 110.299 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.709 ' O ' HG12 ' A' ' 30' ' ' VAL . 41.8 m -96.17 -20.86 18.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 110.408 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.564 ' HB2' ' CE2' ' A' ' 72' ' ' TYR . 0.0 OUTLIER -49.75 -23.48 1.83 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.309 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 84.2 mtt180 -75.43 -29.43 59.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.256 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.709 HG12 ' O ' ' A' ' 27' ' ' THR . 9.5 p -95.31 -13.71 8.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 109.277 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.535 HG21 ' HD2' ' A' ' 72' ' ' TYR . 99.1 mt -82.26 -47.55 18.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 109.267 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -50.9 -29.04 10.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.321 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.5 tptp -56.9 -52.23 65.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.328 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 1.005 ' CD1' HD11 ' A' ' 62' ' ' LEU . 0.2 OUTLIER -63.84 -53.5 49.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.925 ' HA ' HG12 ' A' ' 77' ' ' VAL . . . -45.63 -46.8 14.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.145 . . . . 0.0 109.302 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.49 ' O ' ' CG ' ' A' ' 40' ' ' GLU . 28.3 ttt85 -68.19 -28.78 67.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.28 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.457 ' N ' ' O ' ' A' ' 34' ' ' LEU . 13.8 t80 -77.7 -43.21 31.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 110.979 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.792 HG23 HD22 ' A' ' 34' ' ' LEU . 22.2 t -66.18 -75.57 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.824 ' HB3' HD12 ' A' ' 80' ' ' ILE . . . -38.95 -30.81 0.05 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.49 ' CG ' ' O ' ' A' ' 36' ' ' ARG . 2.0 mm-40 -58.2 -67.39 0.35 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.105 . . . . 0.0 110.306 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -85.39 -53.12 3.18 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.481 1.113 . . . . 0.0 111.06 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 38' ' ' VAL . . . 140.57 -139.41 9.69 Favored Glycine 0 CA--C 1.53 0.971 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -32.04 5.8 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.473 1.775 . . . . 0.0 111.01 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -53.03 -33.48 52.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.282 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.554 ' CD2' ' N ' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -71.57 -57.73 4.14 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.487 1.117 . . . . 0.0 109.331 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.39 -32.55 1.38 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 110.292 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.0 mttt -74.78 -55.56 5.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.274 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.406 ' O ' ' N ' ' A' ' 51' ' ' GLU . 55.9 t -56.59 -45.46 82.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.26 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -47.09 -54.01 11.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.163 . . . . 0.0 109.277 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.8 -19.74 2.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 110.991 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' A' ' 48' ' ' VAL . 4.0 tp10 -96.07 -44.58 7.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.294 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.445 ' CG ' ' CE1' ' A' ' 53' ' ' TYR . 47.1 t0 -56.56 -43.31 79.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 0.0 109.321 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.445 ' CE1' ' CG ' ' A' ' 52' ' ' ASP . 2.6 m-85 -113.03 34.74 4.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 111.024 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 6.1 tttt -49.81 -38.96 36.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 109.315 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -119.88 82.67 1.92 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.682 ' O ' HG22 ' A' ' 60' ' ' THR . 0.4 OUTLIER -134.04 122.77 16.5 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.494 ' C ' HG23 ' A' ' 60' ' ' THR . 18.4 Cg_endo -74.96 -14.89 21.11 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.487 1.783 . . . . 0.0 110.993 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -98.92 -49.9 4.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.51 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 1.7 m-85 -83.72 37.56 0.59 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 111.005 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.682 HG22 ' O ' ' A' ' 56' ' ' ASN . 80.7 p -70.6 -13.72 62.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 110.401 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.524 ' CE2' ' CD1' ' A' ' 62' ' ' LEU . 47.3 p90 -68.79 -15.1 63.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.154 . . . . 0.0 111.033 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 1.005 HD11 ' CD1' ' A' ' 34' ' ' LEU . 0.5 OUTLIER -62.93 -48.6 78.22 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.448 1.092 . . . . 0.0 109.289 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.458 ' NE2' ' HA ' ' A' ' 60' ' ' THR . 11.4 p80 -86.44 -25.07 25.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.591 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -71.01 95.91 1.24 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.336 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.595 ' HA ' ' CE2' ' A' ' 70' ' ' PHE . 0.0 OUTLIER -89.88 47.64 1.48 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.297 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 13.4 p30 175.83 40.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.34 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 52.9 p -111.22 177.3 4.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.033 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.453 ' O ' HG21 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -90.61 -18.43 25.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 110.298 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.423 ' CD ' ' HB3' ' A' ' 61' ' ' PHE . 1.4 pt-20 -96.02 -13.23 23.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 110.294 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.595 ' CE2' ' HA ' ' A' ' 65' ' ' LYS . 62.4 t80 -91.45 -24.59 19.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 111.005 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 43.9 mt -79.83 -53.72 6.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.248 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.564 ' CE2' ' HB2' ' A' ' 28' ' ' ARG . 41.2 t80 -53.69 -36.33 62.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 111.035 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 1.014 ' O ' HG13 ' A' ' 77' ' ' VAL . 0.1 OUTLIER -52.92 -44.41 66.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 110.998 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.466 ' O ' HG22 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -78.43 -11.97 59.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 110.289 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.503 ' O ' ' CD1' ' A' ' 15' ' ' LEU . 30.5 mmt-85 -87.19 -21.62 25.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.312 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.906 ' HD3' HD11 ' A' ' 15' ' ' LEU . 0.3 OUTLIER -91.12 -40.29 11.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.288 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 1.014 HG13 ' O ' ' A' ' 73' ' ' TYR . 5.2 m -50.85 -43.84 25.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -56.65 -44.25 81.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.514 ' HB2' HD22 ' A' ' 15' ' ' LEU . 20.4 tp10 -58.06 -60.82 3.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.46 1.1 . . . . 0.0 110.268 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.824 HD12 ' HB3' ' A' ' 39' ' ' ALA . 0.0 OUTLIER -62.58 -42.07 94.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.523 ' CG ' ' O ' ' A' ' 77' ' ' VAL . 5.5 mmm180 -38.42 -50.65 1.53 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.1 . . . . 0.0 110.3 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.626 ' CB ' ' CZ ' ' A' ' 11' ' ' TYR . 0.1 OUTLIER -41.49 124.33 2.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.312 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 5.0 t -178.9 -64.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 110.039 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -136.67 -159.68 8.43 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.498 1.124 . . . . 0.0 111.032 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 173.51 14.38 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.502 1.791 . . . . 0.0 110.978 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 5.4 t -172.81 128.8 0.5 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.013 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 8.3 t -178.64 133.88 0.14 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 109.985 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 O-C-N 124.481 1.113 . . . . 0.0 110.997 179.993 . . . . . . . . 0 0 . 1 stop_ save_